Heteroaromatic compounds

Organic compounds that contain one or more heterocycles that are aromatic; heterocycles are rings that contain atoms from two or more types of elements.

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Imidazole (Certified), Fisher Chemical

CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1

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PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

2-(Bromomethyl)-5-(trifluoromethyl)furan, 97%, Thermo Scientific™

CAS: 17515-77-4 Molecular Formula: C6H4BrF3O Molecular Weight (g/mol): 229.00 MDL Number: MFCD03086219 InChI Key: YNHVBNGRNNVEMD-UHFFFAOYSA-N Synonym: 2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan PubChem CID: 2794605 IUPAC Name: 2-(bromomethyl)-5-(trifluoromethyl)furan SMILES: FC(F)(F)C1=CC=C(CBr)O1

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PubChem CID	2794605
CAS	17515-77-4
Molecular Weight (g/mol)	229.00
MDL Number	MFCD03086219
SMILES	FC(F)(F)C1=CC=C(CBr)O1
Synonym	2-bromomethyl-5-trifluoromethyl furan,2-bromomethyl-5-trifluoromethyl-furan,furan, 2-bromomethyl-5-trifluoromethyl,pubchem13345,5-trifluoromethyl furfuryl bromide,2-bromomethyl-5-trifloromethyl furan,5-bromomethyl-2-trifluoromethyl furan
IUPAC Name	2-(bromomethyl)-5-(trifluoromethyl)furan
InChI Key	YNHVBNGRNNVEMD-UHFFFAOYSA-N
Molecular Formula	C6H4BrF3O

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Imidazole (Molecular Biology), Fisher BioReagents™,50g

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Specifications

PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

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PubChem CID	795
CAS	288-32-4
Molecular Weight (g/mol)	68.08
ChEBI	CHEBI:16069
MDL Number	MFCD00005183
SMILES	N1C=CN=C1
Synonym	imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole
IUPAC Name	1H-imidazole
InChI Key	RAXXELZNTBOGNW-UHFFFAOYSA-N
Molecular Formula	C3H4N2

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3-(3-Furyl)acrylic acid, 98%

CAS: 39244-10-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00075074 InChI Key: JHAPZUDWRRBZHZ-UHFFFAOYSA-N Synonym: 3-3-furyl acrylic acid,3-furan-3-yl acrylic acid,trans-3-furanacrylic acid,e-3-furan-3-yl acrylic acid,2-propenoic acid, 3-3-furanyl-, 2e,2e-3-3-furyl prop-2-enoic acid,2e-3-furan-3-yl prop-2-enoic acid,3-3-furanyl-2-propenoic acid,2e-3-3-furyl acrylic acid,furan-3-acrylic acid PubChem CID: 643403 IUPAC Name: (E)-3-(furan-3-yl)prop-2-enoic acid SMILES: OC(=O)C=CC1=COC=C1

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Specifications

PubChem CID	643403
CAS	39244-10-5
Molecular Weight (g/mol)	138.12
MDL Number	MFCD00075074
SMILES	OC(=O)C=CC1=COC=C1
Synonym	3-3-furyl acrylic acid,3-furan-3-yl acrylic acid,trans-3-furanacrylic acid,e-3-furan-3-yl acrylic acid,2-propenoic acid, 3-3-furanyl-, 2e,2e-3-3-furyl prop-2-enoic acid,2e-3-furan-3-yl prop-2-enoic acid,3-3-furanyl-2-propenoic acid,2e-3-3-furyl acrylic acid,furan-3-acrylic acid
IUPAC Name	(E)-3-(furan-3-yl)prop-2-enoic acid
InChI Key	JHAPZUDWRRBZHZ-UHFFFAOYSA-N
Molecular Formula	C7H6O3

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3-Furaldehyde diethyl acetal, 98%, Thermo Scientific Chemicals

CAS: 216144-29-5 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD01318151 InChI Key: MTZMXGCDOYBCPN-UHFFFAOYSA-N Synonym: 3-diethoxymethyl furan,3-furaldehyde diethyl acetal,furan,3-diethoxymethyl,diethoxy-3-furylmethane,acmc-1ckie PubChem CID: 7006657 IUPAC Name: 3-(diethoxymethyl)furan SMILES: CCOC(OCC)C1=COC=C1

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Specifications

PubChem CID	7006657
CAS	216144-29-5
Molecular Weight (g/mol)	170.21
MDL Number	MFCD01318151
SMILES	CCOC(OCC)C1=COC=C1
Synonym	3-diethoxymethyl furan,3-furaldehyde diethyl acetal,furan,3-diethoxymethyl,diethoxy-3-furylmethane,acmc-1ckie
IUPAC Name	3-(diethoxymethyl)furan
InChI Key	MTZMXGCDOYBCPN-UHFFFAOYSA-N
Molecular Formula	C9H14O3

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Pyrazine-2-carbonitrile, 97+%

CAS: 19847-12-2 Molecular Formula: C5H3N3 Molecular Weight (g/mol): 105.10 MDL Number: MFCD00049361 InChI Key: PMSVVUSIPKHUMT-UHFFFAOYSA-N Synonym: pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine PubChem CID: 73172 ChEBI: CHEBI:3982 IUPAC Name: pyrazine-2-carbonitrile SMILES: N#CC1=CN=CC=N1

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Specifications

PubChem CID	73172
CAS	19847-12-2
Molecular Weight (g/mol)	105.10
ChEBI	CHEBI:3982
MDL Number	MFCD00049361
SMILES	N#CC1=CN=CC=N1
Synonym	pyrazinecarbonitrile,2-cyanopyrazine,cyanopyrazine,2-pyrazinecarbonitrile,pyrazinenitrile,pyrazinonitrile,2-cyanopyarine,2-cyano pyrazine
IUPAC Name	pyrazine-2-carbonitrile
InChI Key	PMSVVUSIPKHUMT-UHFFFAOYSA-N
Molecular Formula	C5H3N3

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2-Ethyl-3-methylpyrazine, 98+%

CAS: 15707-23-0 Molecular Formula: C7H10N2 Molecular Weight (g/mol): 122.17 MDL Number: MFCD00006150 InChI Key: LNIMMWYNSBZESE-UHFFFAOYSA-N Synonym: pyrazine, 2-ethyl-3-methyl,3-ethyl-2-methylpyrazine,2-methyl-3-ethylpyrazine,2-ethyl-3-methyl pyrazine,pyrazine, ethylmethyl,2-ethyl-3-methyl-pyrazine,unii-9gf35mk66u,fema no. 3155,pyrazine, 3-ethyl-2-methyl,2-ethyl-3-methylpyrazine, 9ci PubChem CID: 27457 IUPAC Name: 2-ethyl-3-methylpyrazine SMILES: CCC1=NC=CN=C1C

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Specifications

PubChem CID	27457
CAS	15707-23-0
Molecular Weight (g/mol)	122.17
MDL Number	MFCD00006150
SMILES	CCC1=NC=CN=C1C
Synonym	pyrazine, 2-ethyl-3-methyl,3-ethyl-2-methylpyrazine,2-methyl-3-ethylpyrazine,2-ethyl-3-methyl pyrazine,pyrazine, ethylmethyl,2-ethyl-3-methyl-pyrazine,unii-9gf35mk66u,fema no. 3155,pyrazine, 3-ethyl-2-methyl,2-ethyl-3-methylpyrazine, 9ci
IUPAC Name	2-ethyl-3-methylpyrazine
InChI Key	LNIMMWYNSBZESE-UHFFFAOYSA-N
Molecular Formula	C7H10N2

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Thiophene, 99%

CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1

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Specifications

PubChem CID	8030
CAS	110-02-1
Molecular Weight (g/mol)	84.14
ChEBI	CHEBI:30856
MDL Number	MFCD00005413
SMILES	S1C=CC=C1
Synonym	thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio
IUPAC Name	thiophene
InChI Key	YTPLMLYBLZKORZ-UHFFFAOYSA-N
Molecular Formula	C4H4S

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3-Amino-4-phenyl-1H-pyrazole, 95%

CAS: 5591-70-8 Molecular Formula: C9H9N3 Molecular Weight (g/mol): 159.192 MDL Number: MFCD01693715 InChI Key: QEHKQNYBBLCFIJ-UHFFFAOYSA-N Synonym: 4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl PubChem CID: 79703 IUPAC Name: 4-phenyl-1H-pyrazol-5-amine SMILES: C1=CC=C(C=C1)C2=C(NN=C2)N

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Specifications

PubChem CID	79703
CAS	5591-70-8
Molecular Weight (g/mol)	159.192
MDL Number	MFCD01693715
SMILES	C1=CC=C(C=C1)C2=C(NN=C2)N
Synonym	4-phenyl-1h-pyrazol-3-amine,3-amino-4-phenylpyrazole,3-amino-4-phenyl-1h-pyrazole,4-phenyl-2h-pyrazol-3-ylamine,usaf el-34,3-amino-4-phenyl pyrazole,4-phenyl-1h-pyrazol-3-ylamine,1h-pyrazol-4-amine, 4-phenyl-9ci,4-phenyl-2h-pyrazol-3-amine,pyrazole, 3-amino-4-phenyl
IUPAC Name	4-phenyl-1H-pyrazol-5-amine
InChI Key	QEHKQNYBBLCFIJ-UHFFFAOYSA-N
Molecular Formula	C9H9N3

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6-Methylindole, 98%

CAS: 3420-02-8 MDL Number: MFCD00005682

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Specifications

CAS	3420-02-8
MDL Number	MFCD00005682

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Quinoline, 96%

CAS: 91-22-5 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006736,MFCD06637409,MFCD31699982,MFCD31699983,MFCD31699984,MFCD31699985,MFCD31699986,MFCD31699987 InChI Key: SMWDFEZZVXVKRB-UHFFFAOYSA-N Synonym: chinolin,chinoline,1-benzazine,quinolin,1-azanaphthalene,chinoleine,leucol,benzo b pyridine,benzopyridine,leukol PubChem CID: 7047 ChEBI: CHEBI:17362 IUPAC Name: quinoline SMILES: C1=CC=C2N=CC=CC2=C1

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PubChem CID	7047
CAS	91-22-5
Molecular Weight (g/mol)	129.16
ChEBI	CHEBI:17362
MDL Number	MFCD00006736,MFCD06637409,MFCD31699982,MFCD31699983,MFCD31699984,MFCD31699985,MFCD31699986,MFCD31699987
SMILES	C1=CC=C2N=CC=CC2=C1
Synonym	chinolin,chinoline,1-benzazine,quinolin,1-azanaphthalene,chinoleine,leucol,benzo b pyridine,benzopyridine,leukol
IUPAC Name	quinoline
InChI Key	SMWDFEZZVXVKRB-UHFFFAOYSA-N
Molecular Formula	C9H7N

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4-Pyridineacetonitrile, ≥97%, Thermo Scientific Chemicals

CAS: 13121-99-8 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD03412601 InChI Key: BMVSAKPRNWZCPG-UHFFFAOYSA-N Synonym: pyridin-4-yl-acetonitrile,2-pyridin-4-yl acetonitrile,4-pyridylacetonitrile,4-pyridineacetonitrile,pyridin-4-ylacetonitrile,pyridine-4-acetonitrile,rarechem ak ml 0204,2-4-pyridyl acetonitrile,4-pyridylacetonitrilehydrochloride,4-cyanomethyl-pyridine PubChem CID: 4112085 IUPAC Name: 2-pyridin-4-ylacetonitrile SMILES: N#CCC1=CC=NC=C1

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Specifications

PubChem CID	4112085
CAS	13121-99-8
Molecular Weight (g/mol)	118.14
MDL Number	MFCD03412601
SMILES	N#CCC1=CC=NC=C1
Synonym	pyridin-4-yl-acetonitrile,2-pyridin-4-yl acetonitrile,4-pyridylacetonitrile,4-pyridineacetonitrile,pyridin-4-ylacetonitrile,pyridine-4-acetonitrile,rarechem ak ml 0204,2-4-pyridyl acetonitrile,4-pyridylacetonitrilehydrochloride,4-cyanomethyl-pyridine
IUPAC Name	2-pyridin-4-ylacetonitrile
InChI Key	BMVSAKPRNWZCPG-UHFFFAOYSA-N
Molecular Formula	C7H6N2

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Indole-2-carbonitrile, 97%

CAS: 36193-65-4 Molecular Formula: C9H6N2 Molecular Weight (g/mol): 142.16 MDL Number: MFCD00187566 InChI Key: CBTITARLOCZPDU-UHFFFAOYSA-N Synonym: 2-cyanoindole,cyanoindole,2-indolecarbonitrile,2-cyano-1h-indole,indole-2-carbonitrile,racemic indole nitrile PubChem CID: 3787599 IUPAC Name: 1H-indole-2-carbonitrile SMILES: N#CC1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	3787599
CAS	36193-65-4
Molecular Weight (g/mol)	142.16
MDL Number	MFCD00187566
SMILES	N#CC1=CC2=CC=CC=C2N1
Synonym	2-cyanoindole,cyanoindole,2-indolecarbonitrile,2-cyano-1h-indole,indole-2-carbonitrile,racemic indole nitrile
IUPAC Name	1H-indole-2-carbonitrile
InChI Key	CBTITARLOCZPDU-UHFFFAOYSA-N
Molecular Formula	C9H6N2

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3-Thiophenemethanol, 97%

CAS: 71637-34-8 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00014534 InChI Key: BOWIFWCBNWWZOG-UHFFFAOYSA-N Synonym: 3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol PubChem CID: 123570 SMILES: OCC1=CSC=C1

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Specifications

PubChem CID	123570
CAS	71637-34-8
Molecular Weight (g/mol)	114.16
MDL Number	MFCD00014534
SMILES	OCC1=CSC=C1
Synonym	3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol
InChI Key	BOWIFWCBNWWZOG-UHFFFAOYSA-N
Molecular Formula	C5H6OS

Heteroaromatic compounds

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