Benzyl Derivatives

Organic compounds that are derived from compounds that contain a benzene ring attached to a CH2 group, and have the following structure: C6H5CH2–.

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Benzyl Alcohol (NF), Fisher Chemical™

CAS: 100-51-6 Formule moléculaire: C7H8O Poids moléculaire (g/mol): 108.14 Numéro MDL: MFCD00004599,MFCD03792087 Clé InChI: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonyme: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol CID PubChem: 244 ChEBI: CHEBI:17987 Nom IUPAC: phenylmethanol SMILES: OCC1=CC=CC=C1

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Poids moléculaire (g/mol)	108.14
Synonyme	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numéro MDL	MFCD00004599,MFCD03792087
CAS	100-51-6
CID PubChem	244
ChEBI	CHEBI:17987
Nom IUPAC	phenylmethanol
Clé InChI	WVDDGKGOMKODPV-UHFFFAOYSA-N
SMILES	OCC1=CC=CC=C1
Formule moléculaire	C7H8O

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Formule moléculaire: C9H8BrN3 Poids moléculaire (g/mol): 238.088 Numéro MDL: MFCD04113600 Clé InChI: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonyme: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole CID PubChem: 2776489 Nom IUPAC: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

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Poids moléculaire (g/mol)	238.088
Synonyme	1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
Numéro MDL	MFCD04113600
CAS	58419-69-5
CID PubChem	2776489
Nom IUPAC	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
Clé InChI	NOUAEJFAVOHNSY-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1CBr)N2C=NC=N2
Formule moléculaire	C9H8BrN3

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Benzyl Alcohol (Certified ACS), Fisher Chemical™

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Poids moléculaire (g/mol)	108.14
Synonyme	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numéro MDL	MFCD00004599,MFCD03792087
CAS	100-51-6
CID PubChem	244
ChEBI	CHEBI:17987
Nom IUPAC	phenylmethanol
Clé InChI	WVDDGKGOMKODPV-UHFFFAOYSA-N
SMILES	OCC1=CC=CC=C1
Formule moléculaire	C7H8O

4-Hydroxybenzyl alcohol, 97%

CAS: 623-05-2 Formule moléculaire: C₇H₈O₂ Poids moléculaire (g/mol): 124.14 Clé InChI: BVJSUAQZOZWCKN-UHFFFAOYSA-N Synonyme: 4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol CID PubChem: 125 ChEBI: CHEBI:67410 Nom IUPAC: 4-(hydroxymethyl)phenol SMILES: C1=CC(=CC=C1CO)O

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Poids moléculaire (g/mol)	124.14
Synonyme	4-hydroxybenzyl alcohol,4-hydroxymethyl phenol,p-hydroxybenzyl alcohol,p-methylolphenol,4-methylolphenol,4-hydroxybenzenemethanol,benzenemethanol, 4-hydroxy,p-hydroxymethyl phenol,gastrodigenin,4-hydroxybenzylalcohol
CAS	623-05-2
CID PubChem	125
ChEBI	CHEBI:67410
Nom IUPAC	4-(hydroxymethyl)phenol
Clé InChI	BVJSUAQZOZWCKN-UHFFFAOYSA-N
SMILES	C1=CC(=CC=C1CO)O
Formule moléculaire	C₇H₈O₂

(S)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 99%

CAS: 20445-33-4 Formule moléculaire: C₁₀H₈ClF₃O₂ Poids moléculaire (g/mol): 252.62 Numéro MDL: MFCD00067105 Clé InChI: PAORVUMOXXAMPL-SECBINFHSA-N Synonyme: s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride CID PubChem: 2724611 Nom IUPAC: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F

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Poids moléculaire (g/mol)	252.62
Synonyme	s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,+-mtpa-cl,unii-472va70ul4,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,s-+-a-methoxy-a-trifluoromethylphenylacetyl chloride,s-+-alpha-methoxy-alpha-trifluoromethylphenylacetylchloride,s-+-alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,+-mtpa chloride,+-mosher's chloride
Numéro MDL	MFCD00067105
CAS	20445-33-4
CID PubChem	2724611
Nom IUPAC	(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
Clé InChI	PAORVUMOXXAMPL-SECBINFHSA-N
SMILES	COC(C1=CC=CC=C1)(C(=O)Cl)C(F)(F)F
Formule moléculaire	C₁₀H₈ClF₃O₂

3,5-Dichlorobenzyl alcohol, 98%, Thermo Scientific™

CAS: 60211-57-6 Formule moléculaire: C₇H₆Cl₂O Poids moléculaire (g/mol): 177.03 Numéro MDL: MFCD00004634 Clé InChI: VSNNLLQKDRCKCB-UHFFFAOYSA-N Synonyme: 3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908 CID PubChem: 43236 Nom IUPAC: (3,5-dichlorophenyl)methanol SMILES: C1=C(C=C(C=C1Cl)Cl)CO

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Poids moléculaire (g/mol)	177.03
Synonyme	3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908
Numéro MDL	MFCD00004634
CAS	60211-57-6
CID PubChem	43236
Nom IUPAC	(3,5-dichlorophenyl)methanol
Clé InChI	VSNNLLQKDRCKCB-UHFFFAOYSA-N
SMILES	C1=C(C=C(C=C1Cl)Cl)CO
Formule moléculaire	C₇H₆Cl₂O

3-Nitrobenzyl alcohol, 99%

CAS: 619-25-0 Formule moléculaire: C7H7NO3 Poids moléculaire (g/mol): 153.137 Numéro MDL: MFCD00007273 Clé InChI: CWNPOQFCIIFQDM-UHFFFAOYSA-N Synonyme: 3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol CID PubChem: 69267 Nom IUPAC: (3-nitrophenyl)methanol SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CO

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Poids moléculaire (g/mol)	153.137
Synonyme	3-nitrobenzyl alcohol,3-nitrophenyl methanol,m-nitrobenzyl alcohol,benzenemethanol, 3-nitro,benzyl alcohol, m-nitro,3-nitrobenzenemethanol,unii-f829x990iv,ccris 7971,3-nitrophenyl methan-1-ol,3-nitrobenzylalcohol
Numéro MDL	MFCD00007273
CAS	619-25-0
CID PubChem	69267
Nom IUPAC	(3-nitrophenyl)methanol
Clé InChI	CWNPOQFCIIFQDM-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])CO
Formule moléculaire	C7H7NO3

3,4-Dichlorophenylacetonitrile, 98%

CAS: 3218-49-3 Formule moléculaire: C8H5Cl2N Poids moléculaire (g/mol): 186.04 Numéro MDL: MFCD00001909 Clé InChI: QWZNCAFWRZZJMA-UHFFFAOYSA-N Synonyme: 3,4-dichlorophenylacetonitrile,2-3,4-dichlorophenyl acetonitrile,3,4-dichlorobenzyl cyanide,3,4-dichlorophenyl acetonitrile,benzeneacetonitrile, 3,4-dichloro,3,4-dichlorobenzeneacetonitrile,2-3,4-dichlorophenyl ethanenitrile,3,4-dichlorphenyl acetonitrile,pubchem16506,3,4-dichlorobenzylcyanide CID PubChem: 76690 Nom IUPAC: 2-(3,4-dichlorophenyl)acetonitrile SMILES: ClC1=CC=C(CC#N)C=C1Cl

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Poids moléculaire (g/mol)	186.04
Synonyme	3,4-dichlorophenylacetonitrile,2-3,4-dichlorophenyl acetonitrile,3,4-dichlorobenzyl cyanide,3,4-dichlorophenyl acetonitrile,benzeneacetonitrile, 3,4-dichloro,3,4-dichlorobenzeneacetonitrile,2-3,4-dichlorophenyl ethanenitrile,3,4-dichlorphenyl acetonitrile,pubchem16506,3,4-dichlorobenzylcyanide
Numéro MDL	MFCD00001909
CAS	3218-49-3
CID PubChem	76690
Nom IUPAC	2-(3,4-dichlorophenyl)acetonitrile
Clé InChI	QWZNCAFWRZZJMA-UHFFFAOYSA-N
SMILES	ClC1=CC=C(CC#N)C=C1Cl
Formule moléculaire	C8H5Cl2N

2-(Bromomethyl)benzeneboronic acid, 97%

CAS: 91983-14-1 Formule moléculaire: C7H8BBrO2 Poids moléculaire (g/mol): 214.85 Numéro MDL: MFCD01318941 Clé InChI: MYVJCOQGXCONPE-UHFFFAOYSA-N Synonyme: 2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781 CID PubChem: 2773278 Nom IUPAC: [2-(bromomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC=C1CBr

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Poids moléculaire (g/mol)	214.85
Synonyme	2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781
Numéro MDL	MFCD01318941
CAS	91983-14-1
CID PubChem	2773278
Nom IUPAC	[2-(bromomethyl)phenyl]boronic acid
Clé InChI	MYVJCOQGXCONPE-UHFFFAOYSA-N
SMILES	OB(O)C1=CC=CC=C1CBr
Formule moléculaire	C7H8BBrO2

3-Nitrobenzyl bromide, 98+%

CAS: 3958-57-4 Formule moléculaire: C7H6BrNO2 Poids moléculaire (g/mol): 216.034 Numéro MDL: MFCD00007271 Clé InChI: LNWXALCHPJANMJ-UHFFFAOYSA-N Synonyme: 3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro CID PubChem: 77568 Nom IUPAC: 1-(bromomethyl)-3-nitrobenzene SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CBr

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Poids moléculaire (g/mol)	216.034
Synonyme	3-nitrobenzyl bromide,1-bromomethyl-3-nitrobenzene,m-nitrobenzyl bromide,benzene, 1-bromomethyl-3-nitro,alpha-bromo-3-nitrotoluene,m-bromomethyl nitrobenzene,alpha-bromo-m-nitrotoluene,m-nitro-alpha-bromotoluene,3-nitrobenzylbromide,toluene, alpha-bromo-m-nitro
Numéro MDL	MFCD00007271
CAS	3958-57-4
CID PubChem	77568
Nom IUPAC	1-(bromomethyl)-3-nitrobenzene
Clé InChI	LNWXALCHPJANMJ-UHFFFAOYSA-N
SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])CBr
Formule moléculaire	C7H6BrNO2

4-[4-(Bromomethyl)phenyl]-1,2,3-thiadiazole, 97%, Thermo Scientific™

CAS: 163798-92-3 Formule moléculaire: C9H7BrN2S Poids moléculaire (g/mol): 255.13 Numéro MDL: MFCD00052102 Clé InChI: DGHQOPZIGDRUIT-UHFFFAOYSA-N Synonyme: 4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole CID PubChem: 2776454 Nom IUPAC: 4-[4-(bromomethyl)phenyl]thiadiazole SMILES: BrCC1=CC=C(C=C1)C1=CSN=N1

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Poids moléculaire (g/mol)	255.13
Synonyme	4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole
Numéro MDL	MFCD00052102
CAS	163798-92-3
CID PubChem	2776454
Nom IUPAC	4-[4-(bromomethyl)phenyl]thiadiazole
Clé InChI	DGHQOPZIGDRUIT-UHFFFAOYSA-N
SMILES	BrCC1=CC=C(C=C1)C1=CSN=N1
Formule moléculaire	C9H7BrN2S

2,5-Dimethylbenzyl alcohol, 97+%

CAS: 53957-33-8 Formule moléculaire: C9H12O Poids moléculaire (g/mol): 136.194 Numéro MDL: MFCD00004625 Clé InChI: LEBQTCCCNMTXSF-UHFFFAOYSA-N CID PubChem: 94560 Nom IUPAC: (2,5-dimethylphenyl)methanol SMILES: CC1=CC(=C(C=C1)C)CO

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Poids moléculaire (g/mol)	136.194
Numéro MDL	MFCD00004625
CAS	53957-33-8
CID PubChem	94560
Nom IUPAC	(2,5-dimethylphenyl)methanol
Clé InChI	LEBQTCCCNMTXSF-UHFFFAOYSA-N
SMILES	CC1=CC(=C(C=C1)C)CO
Formule moléculaire	C9H12O

2-Fluoro-5-(trifluoromethoxy)benzyl bromide, 97%

CAS: 86256-24-8 Formule moléculaire: C8H5BrF4O Poids moléculaire (g/mol): 273.025 Numéro MDL: MFCD04115890 Clé InChI: KOISGBFWQAPLFE-UHFFFAOYSA-N Synonyme: 2-fluoro-5-trifluoromethoxy benzyl bromide,2-bromomethyl-1-fluoro-4-trifluoromethoxy benzene,1-bromomethyl-2-fluoro-5-trifluoromethoxy benzene CID PubChem: 2783326 Nom IUPAC: 2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene SMILES: C1=CC(=C(C=C1OC(F)(F)F)CBr)F

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Poids moléculaire (g/mol)	273.025
Synonyme	2-fluoro-5-trifluoromethoxy benzyl bromide,2-bromomethyl-1-fluoro-4-trifluoromethoxy benzene,1-bromomethyl-2-fluoro-5-trifluoromethoxy benzene
Numéro MDL	MFCD04115890
CAS	86256-24-8
CID PubChem	2783326
Nom IUPAC	2-(bromomethyl)-1-fluoro-4-(trifluoromethoxy)benzene
Clé InChI	KOISGBFWQAPLFE-UHFFFAOYSA-N
SMILES	C1=CC(=C(C=C1OC(F)(F)F)CBr)F
Formule moléculaire	C8H5BrF4O

(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 17257-71-5 Formule moléculaire: C10H8F3O3 Poids moléculaire (g/mol): 233.17 Numéro MDL: MFCD00064200 Clé InChI: JJYKJUXBWFATTE-VIFPVBQESA-M Synonyme: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid CID PubChem: 6992788 Nom IUPAC: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F

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Poids moléculaire (g/mol)	233.17
Synonyme	s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid
Numéro MDL	MFCD00064200
CAS	17257-71-5
CID PubChem	6992788
Nom IUPAC	(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
Clé InChI	JJYKJUXBWFATTE-VIFPVBQESA-M
SMILES	CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Formule moléculaire	C10H8F3O3

3,5-Dimethylphenylacetonitrile, 98%

CAS: 39101-54-7 Formule moléculaire: C10H11N Poids moléculaire (g/mol): 145.205 Numéro MDL: MFCD00060304 Clé InChI: LMUKNQSVBFEUKR-UHFFFAOYSA-N Synonyme: 3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile CID PubChem: 123481 Nom IUPAC: 2-(3,5-dimethylphenyl)acetonitrile SMILES: CC1=CC(=CC(=C1)CC#N)C

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Poids moléculaire (g/mol)	145.205
Synonyme	3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile
Numéro MDL	MFCD00060304
CAS	39101-54-7
CID PubChem	123481
Nom IUPAC	2-(3,5-dimethylphenyl)acetonitrile
Clé InChI	LMUKNQSVBFEUKR-UHFFFAOYSA-N
SMILES	CC1=CC(=CC(=C1)CC#N)C
Formule moléculaire	C10H11N

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