Benzenoids
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(R)-1-Benzyl-3-pyrrolidinecarbonitrile 98.0+%, TCI America™
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CAS: 157528-56-8 Molecular Formula: C12H14N2 Molecular Weight (g/mol): 186.258 MDL Number: MFCD09951967 InChI Key: RYCQUUNQHVAFSM-LBPRGKRZSA-N Synonym: (R)-1-Benzyl-3-cyanopyrrolidine PubChem CID: 1515497 IUPAC Name: (3R)-1-benzylpyrrolidine-3-carbonitrile SMILES: C1CN(CC1C#N)CC2=CC=CC=C2
| PubChem CID | 1515497 |
|---|---|
| CAS | 157528-56-8 |
| Molecular Weight (g/mol) | 186.258 |
| MDL Number | MFCD09951967 |
| SMILES | C1CN(CC1C#N)CC2=CC=CC=C2 |
| Synonym | (R)-1-Benzyl-3-cyanopyrrolidine |
| IUPAC Name | (3R)-1-benzylpyrrolidine-3-carbonitrile |
| InChI Key | RYCQUUNQHVAFSM-LBPRGKRZSA-N |
| Molecular Formula | C12H14N2 |
N-(Diphenylmethylene)aminoacetonitrile 98.0+%, TCI America™
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CAS: 70591-20-7 Molecular Formula: C15H12N2 Molecular Weight (g/mol): 220.28 MDL Number: MFCD00009970 InChI Key: VRLJFRODHVSTIK-UHFFFAOYSA-N Synonym: n-diphenylmethylene aminoacetonitrile,2-diphenylmethylene amino acetonitrile,benzhydrylidene-amino-acetonitrile,2-benzhydrylideneamino acetonitrile,2-diphenylmethylidene amino acetonitrile,acetonitrile, diphenylmethylene amino,4,4-diphenyl-3-azabut-3-enenitrile,pubchem13883,benzhydrylideneaminoacetonitrile PubChem CID: 612957 IUPAC Name: 2-[(diphenylmethylidene)amino]acetonitrile SMILES: N#CCN=C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 612957 |
|---|---|
| CAS | 70591-20-7 |
| Molecular Weight (g/mol) | 220.28 |
| MDL Number | MFCD00009970 |
| SMILES | N#CCN=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | n-diphenylmethylene aminoacetonitrile,2-diphenylmethylene amino acetonitrile,benzhydrylidene-amino-acetonitrile,2-benzhydrylideneamino acetonitrile,2-diphenylmethylidene amino acetonitrile,acetonitrile, diphenylmethylene amino,4,4-diphenyl-3-azabut-3-enenitrile,pubchem13883,benzhydrylideneaminoacetonitrile |
| IUPAC Name | 2-[(diphenylmethylidene)amino]acetonitrile |
| InChI Key | VRLJFRODHVSTIK-UHFFFAOYSA-N |
| Molecular Formula | C15H12N2 |
3-Bromo-4-methoxybenzoic Acid 98.0+%, TCI America™
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CAS: 99-58-1 Molecular Formula: C8H6BrO3 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00020295 InChI Key: BBPZABXVRBFWGD-UHFFFAOYSA-M Synonym: 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole PubChem CID: 66836 IUPAC Name: 3-bromo-4-methoxybenzoate SMILES: COC1=CC=C(C=C1Br)C([O-])=O
| PubChem CID | 66836 |
|---|---|
| CAS | 99-58-1 |
| Molecular Weight (g/mol) | 230.04 |
| MDL Number | MFCD00020295 |
| SMILES | COC1=CC=C(C=C1Br)C([O-])=O |
| Synonym | 3-bromo-p-anisic acid,benzoic acid, 3-bromo-4-methoxy,3-bromo-4-methoxybenzoicacid,akos bbb/210,rarechem al bo 0751,timtec-bb sbb009955,4-methoxy-3-bromo benzoic acid,3-bromanissaure,pubchem2675,2-bromo-4-carboxyanisole |
| IUPAC Name | 3-bromo-4-methoxybenzoate |
| InChI Key | BBPZABXVRBFWGD-UHFFFAOYSA-M |
| Molecular Formula | C8H6BrO3 |
2,4,6-Tri-tert-butylnitrobenzene 95.0+%, TCI America™
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CAS: 4074-25-3 Molecular Formula: C18H29NO2 Molecular Weight (g/mol): 291.435 MDL Number: MFCD00008818 InChI Key: IMDZOFHRUMJNQR-UHFFFAOYSA-N Synonym: 2,4,6-tri-tert-butylnitrobenzene,2,4,6-tri-t-butylnitrobenzene,1,3,5-tri-tert-butyl-2-nitrobenzene,1,3,5-tri tert-butyl-2-nitrobenzene,2,4,6 tri-tert-butylnitrobenzene,2-nitro-1,3,5-tri-tert-butylbenzene,acmc-209jgh,1,3,5-tritert-butyl-2-nitro-benzene,2-nitro-1,3,5-tritert-butyl-benzene,2,4,6-tri-tert-butyl-1-nitrobenzene PubChem CID: 77691 IUPAC Name: 1,3,5-tritert-butyl-2-nitrobenzene SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[N+](=O)[O-])C(C)(C)C
| PubChem CID | 77691 |
|---|---|
| CAS | 4074-25-3 |
| Molecular Weight (g/mol) | 291.435 |
| MDL Number | MFCD00008818 |
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[N+](=O)[O-])C(C)(C)C |
| Synonym | 2,4,6-tri-tert-butylnitrobenzene,2,4,6-tri-t-butylnitrobenzene,1,3,5-tri-tert-butyl-2-nitrobenzene,1,3,5-tri tert-butyl-2-nitrobenzene,2,4,6 tri-tert-butylnitrobenzene,2-nitro-1,3,5-tri-tert-butylbenzene,acmc-209jgh,1,3,5-tritert-butyl-2-nitro-benzene,2-nitro-1,3,5-tritert-butyl-benzene,2,4,6-tri-tert-butyl-1-nitrobenzene |
| IUPAC Name | 1,3,5-tritert-butyl-2-nitrobenzene |
| InChI Key | IMDZOFHRUMJNQR-UHFFFAOYSA-N |
| Molecular Formula | C18H29NO2 |
3-Bromobenzoyl Chloride 98.0+%, TCI America™
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CAS: 1711-09-7 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 MDL Number: MFCD00000669 InChI Key: PBOOZQFGWNZNQE-UHFFFAOYSA-N Synonym: m-bromobenzoyl chloride,benzoyl chloride, 3-bromo,3-bromobenzoylchloride,benzoyl chloride, m-bromo,3-bromobenzoic acid chloride,attercop-chm at106527,3-brom-benzoylchlorid,3-bromo-benzoylchlorid,3-bromobenzoic chloride,pubchem13574 PubChem CID: 74377 IUPAC Name: 3-bromobenzoyl chloride SMILES: C1=CC(=CC(=C1)Br)C(=O)Cl
| PubChem CID | 74377 |
|---|---|
| CAS | 1711-09-7 |
| Molecular Weight (g/mol) | 219.462 |
| MDL Number | MFCD00000669 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)Cl |
| Synonym | m-bromobenzoyl chloride,benzoyl chloride, 3-bromo,3-bromobenzoylchloride,benzoyl chloride, m-bromo,3-bromobenzoic acid chloride,attercop-chm at106527,3-brom-benzoylchlorid,3-bromo-benzoylchlorid,3-bromobenzoic chloride,pubchem13574 |
| IUPAC Name | 3-bromobenzoyl chloride |
| InChI Key | PBOOZQFGWNZNQE-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
2-Hydroxyethyl 4-Hydroxybenzoate 98.0+%, TCI America™
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CAS: 2496-90-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00059079 InChI Key: GFHGEIJFEHZKHZ-UHFFFAOYSA-N Synonym: 4-Hydroxybenzoic Acid 2-Hydroxyethyl Ester, 2-Hydroxyethylparaben PubChem CID: 267950 IUPAC Name: 2-hydroxyethyl 4-hydroxybenzoate SMILES: OCCOC(=O)C1=CC=C(O)C=C1
| PubChem CID | 267950 |
|---|---|
| CAS | 2496-90-4 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00059079 |
| SMILES | OCCOC(=O)C1=CC=C(O)C=C1 |
| Synonym | 4-Hydroxybenzoic Acid 2-Hydroxyethyl Ester, 2-Hydroxyethylparaben |
| IUPAC Name | 2-hydroxyethyl 4-hydroxybenzoate |
| InChI Key | GFHGEIJFEHZKHZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
4-Chlorothioanisole 98.0+%, TCI America™
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CAS: 123-09-1 Molecular Formula: C7H7ClS Molecular Weight (g/mol): 158.643 MDL Number: MFCD00013643 InChI Key: KIQQUVJOLVCZKG-UHFFFAOYSA-N Synonym: 4-chlorothioanisole,4-chlorophenyl methyl sulfide,p-chlorothioanisole,1-chloro-4-methylthio benzene,p-chlorophenyl methyl sulfide,methyl 4-chlorophenyl sulfide,benzene, 1-chloro-4-methylthio,p-chlophenyl methyl sulfide,1-chloro-4-methylsulfanyl benzene,4-chloro thioanisole PubChem CID: 31243 IUPAC Name: 1-chloro-4-methylsulfanylbenzene SMILES: CSC1=CC=C(C=C1)Cl
| PubChem CID | 31243 |
|---|---|
| CAS | 123-09-1 |
| Molecular Weight (g/mol) | 158.643 |
| MDL Number | MFCD00013643 |
| SMILES | CSC1=CC=C(C=C1)Cl |
| Synonym | 4-chlorothioanisole,4-chlorophenyl methyl sulfide,p-chlorothioanisole,1-chloro-4-methylthio benzene,p-chlorophenyl methyl sulfide,methyl 4-chlorophenyl sulfide,benzene, 1-chloro-4-methylthio,p-chlophenyl methyl sulfide,1-chloro-4-methylsulfanyl benzene,4-chloro thioanisole |
| IUPAC Name | 1-chloro-4-methylsulfanylbenzene |
| InChI Key | KIQQUVJOLVCZKG-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClS |
p-Toluenesulfonylacetonitrile 99.0+%, TCI America™
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CAS: 5697-44-9 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00039487 InChI Key: BBNNLJMGPASZPD-UHFFFAOYSA-N Synonym: p-toluenesulfonylacetonitrile,2-tosylacetonitrile,tosylacetonitrile,p-tolylsulfonylacetonitrile,4-methylphenyl sulfonyl acetonitrile,4-toluenesulfonylacetonitrile,4-methylphenyl sulfonylacetonitrile,4-toluenesulphonylacetonitrile,p-cyanomethylsulfonyl toluene,tosylmethyl isocyanide PubChem CID: 79776 IUPAC Name: 2-(4-methylbenzenesulfonyl)acetonitrile SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC#N
| PubChem CID | 79776 |
|---|---|
| CAS | 5697-44-9 |
| Molecular Weight (g/mol) | 195.24 |
| MDL Number | MFCD00039487 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC#N |
| Synonym | p-toluenesulfonylacetonitrile,2-tosylacetonitrile,tosylacetonitrile,p-tolylsulfonylacetonitrile,4-methylphenyl sulfonyl acetonitrile,4-toluenesulfonylacetonitrile,4-methylphenyl sulfonylacetonitrile,4-toluenesulphonylacetonitrile,p-cyanomethylsulfonyl toluene,tosylmethyl isocyanide |
| IUPAC Name | 2-(4-methylbenzenesulfonyl)acetonitrile |
| InChI Key | BBNNLJMGPASZPD-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2S |
2-(4-Fluorophenyl)ethanol 97.0+%, TCI America™
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CAS: 7589-27-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00002898 InChI Key: MWUVGXCUHWKQJE-UHFFFAOYSA-N Synonym: 2-4-fluorophenyl ethanol,4-fluorophenethyl alcohol,4-fluorophenylethanol,benzeneethanol, 4-fluoro,2-4-fluorophenyl ethan-1-ol,4-fluorophenethylic alcohol,phenethyl alcohol, p-fluoro,4-fluorobenzeneethanol,4fa PubChem CID: 82068 IUPAC Name: 2-(4-fluorophenyl)ethan-1-ol SMILES: OCCC1=CC=C(F)C=C1
| PubChem CID | 82068 |
|---|---|
| CAS | 7589-27-7 |
| Molecular Weight (g/mol) | 140.16 |
| MDL Number | MFCD00002898 |
| SMILES | OCCC1=CC=C(F)C=C1 |
| Synonym | 2-4-fluorophenyl ethanol,4-fluorophenethyl alcohol,4-fluorophenylethanol,benzeneethanol, 4-fluoro,2-4-fluorophenyl ethan-1-ol,4-fluorophenethylic alcohol,phenethyl alcohol, p-fluoro,4-fluorobenzeneethanol,4fa |
| IUPAC Name | 2-(4-fluorophenyl)ethan-1-ol |
| InChI Key | MWUVGXCUHWKQJE-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO |
2-Phenoxyethanol 98.5+%, TCI America™
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CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:64275 |
| MDL Number | MFCD00002857 |
| SMILES | C1=CC=C(C=C1)OCCO |
| Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2,4-Dichloro-5-fluorobenzoyl Chloride 98.0+%, TCI America™
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CAS: 86393-34-2 Molecular Formula: C7H2Cl3FO Molecular Weight (g/mol): 227.44 MDL Number: MFCD00075341 InChI Key: RPZXUSJCSDQNTE-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-fluoro-benzoyl chloride,2,4-dichloro-5-fluoro benzoyl chloride,benzoyl chloride,2,4-dichloro-5-fluoro,2,4-dichloro-5-fluorobenzoylchloride,2,4-bis chloranyl-5-fluoranyl-benzoyl chloride PubChem CID: 2736821 IUPAC Name: 2,4-dichloro-5-fluorobenzoyl chloride SMILES: FC1=CC(C(Cl)=O)=C(Cl)C=C1Cl
| PubChem CID | 2736821 |
|---|---|
| CAS | 86393-34-2 |
| Molecular Weight (g/mol) | 227.44 |
| MDL Number | MFCD00075341 |
| SMILES | FC1=CC(C(Cl)=O)=C(Cl)C=C1Cl |
| Synonym | 2,4-dichloro-5-fluoro-benzoyl chloride,2,4-dichloro-5-fluoro benzoyl chloride,benzoyl chloride,2,4-dichloro-5-fluoro,2,4-dichloro-5-fluorobenzoylchloride,2,4-bis chloranyl-5-fluoranyl-benzoyl chloride |
| IUPAC Name | 2,4-dichloro-5-fluorobenzoyl chloride |
| InChI Key | RPZXUSJCSDQNTE-UHFFFAOYSA-N |
| Molecular Formula | C7H2Cl3FO |
4-Bromo-3,5-dihydroxybenzoic Acid 97.0+%, TCI America™
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CAS: 16534-12-6 Molecular Formula: C7H5BrO4 Molecular Weight (g/mol): 233.017 MDL Number: MFCD00002513 InChI Key: NUTRHYYFCDEALP-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-3,5-dihydroxy,4-bromo-3,5-resorcylic acid,4-bromo-alpha-resorcylic acid,4-bromo-3,5-dihydroxybenzic acid,.alpha.-resorcylic acid, 4-bromo,4-bromo-3,5-dihydroxy-benzoic acid,alpha-resorcylic acid, 4-bromo,pubchem8196,acmc-209dsh,ksc177s3r PubChem CID: 86023 IUPAC Name: 4-bromo-3,5-dihydroxybenzoic acid SMILES: C1=C(C=C(C(=C1O)Br)O)C(=O)O
| PubChem CID | 86023 |
|---|---|
| CAS | 16534-12-6 |
| Molecular Weight (g/mol) | 233.017 |
| MDL Number | MFCD00002513 |
| SMILES | C1=C(C=C(C(=C1O)Br)O)C(=O)O |
| Synonym | benzoic acid, 4-bromo-3,5-dihydroxy,4-bromo-3,5-resorcylic acid,4-bromo-alpha-resorcylic acid,4-bromo-3,5-dihydroxybenzic acid,.alpha.-resorcylic acid, 4-bromo,4-bromo-3,5-dihydroxy-benzoic acid,alpha-resorcylic acid, 4-bromo,pubchem8196,acmc-209dsh,ksc177s3r |
| IUPAC Name | 4-bromo-3,5-dihydroxybenzoic acid |
| InChI Key | NUTRHYYFCDEALP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO4 |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-homophenylalanine 98.0+%, TCI America™
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3-Fluorobenzonitrile 98.0+%, TCI America™
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CAS: 403-54-3 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001797 InChI Key: JZTPKAROPNTQQV-UHFFFAOYSA-N Synonym: benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile PubChem CID: 67880 IUPAC Name: 3-fluorobenzonitrile SMILES: FC1=CC=CC(=C1)C#N
| PubChem CID | 67880 |
|---|---|
| CAS | 403-54-3 |
| Molecular Weight (g/mol) | 121.11 |
| MDL Number | MFCD00001797 |
| SMILES | FC1=CC=CC(=C1)C#N |
| Synonym | benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile |
| IUPAC Name | 3-fluorobenzonitrile |
| InChI Key | JZTPKAROPNTQQV-UHFFFAOYSA-N |
| Molecular Formula | C7H4FN |
1,3-Dichloro-2-iodobenzene 98.0+%, TCI America™
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CAS: 19230-28-5 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00060658 InChI Key: ZMPGXSFTXBOKFM-UHFFFAOYSA-N Synonym: 2,6-dichloroiodobenzene,benzene, 1,3-dichloro-2-iodo,pubchem9581,acmc-1c3f6,ksc494i7b,1,3-dichloro-2-iodo-benzene,#,benzene,1,3-dichloro-2-iodo,attercop-chm at115975 PubChem CID: 140498 IUPAC Name: 1,3-dichloro-2-iodobenzene SMILES: ClC1=CC=CC(Cl)=C1I
| PubChem CID | 140498 |
|---|---|
| CAS | 19230-28-5 |
| Molecular Weight (g/mol) | 272.89 |
| MDL Number | MFCD00060658 |
| SMILES | ClC1=CC=CC(Cl)=C1I |
| Synonym | 2,6-dichloroiodobenzene,benzene, 1,3-dichloro-2-iodo,pubchem9581,acmc-1c3f6,ksc494i7b,1,3-dichloro-2-iodo-benzene,#,benzene,1,3-dichloro-2-iodo,attercop-chm at115975 |
| IUPAC Name | 1,3-dichloro-2-iodobenzene |
| InChI Key | ZMPGXSFTXBOKFM-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |