Benzenoids
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p-Anisidine-2-sulfonic Acid 97.0+%, TCI America™
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CAS: 13244-33-2 Molecular Formula: C7H9NO4S Molecular Weight (g/mol): 203.212 MDL Number: MFCD00035804 InChI Key: KZKGEEGADAWJFS-UHFFFAOYSA-N Synonym: 4-aminoanisole-3-sulfonic acid,p-anisidine-3-sulfonic acid,benzenesulfonic acid, 2-amino-5-methoxy,4-methoxy-2-sulfoaniline,2-amino-5-methoxybenzenesulphonic acid,unii-hju535j932,2-amino-5-methoxybenzene-1-sulfonic acid,4-methoxyaniline-2-sulfonic acid,4-anisidine-2-sulfonicacid,2-amino-5-methoxy benzenesulfonic acid PubChem CID: 83260 IUPAC Name: 2-amino-5-methoxybenzenesulfonic acid SMILES: COC1=CC(=C(C=C1)N)S(=O)(=O)O
| PubChem CID | 83260 |
|---|---|
| CAS | 13244-33-2 |
| Molecular Weight (g/mol) | 203.212 |
| MDL Number | MFCD00035804 |
| SMILES | COC1=CC(=C(C=C1)N)S(=O)(=O)O |
| Synonym | 4-aminoanisole-3-sulfonic acid,p-anisidine-3-sulfonic acid,benzenesulfonic acid, 2-amino-5-methoxy,4-methoxy-2-sulfoaniline,2-amino-5-methoxybenzenesulphonic acid,unii-hju535j932,2-amino-5-methoxybenzene-1-sulfonic acid,4-methoxyaniline-2-sulfonic acid,4-anisidine-2-sulfonicacid,2-amino-5-methoxy benzenesulfonic acid |
| IUPAC Name | 2-amino-5-methoxybenzenesulfonic acid |
| InChI Key | KZKGEEGADAWJFS-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO4S |
1-(p-Toluenesulfonyl)-1,2,4-triazole 98.0+%, TCI America™
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3-Fluoroaniline 98.0+%, TCI America™
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CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N
| PubChem CID | 9742 |
|---|---|
| CAS | 372-19-0 |
| Molecular Weight (g/mol) | 111.119 |
| ChEBI | CHEBI:27873 |
| MDL Number | MFCD00007758 |
| SMILES | C1=CC(=CC(=C1)F)N |
| Synonym | m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech |
| IUPAC Name | 3-fluoroaniline |
| InChI Key | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
2,5-Dimethoxy-3-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 17894-26-7 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017022 InChI Key: QCJROOYLFVYZEP-UHFFFAOYSA-N PubChem CID: 2733991 SMILES: COC1=CC(=C(C(=C1)C(=O)O)OC)[N+](=O)[O-]
| PubChem CID | 2733991 |
|---|---|
| CAS | 17894-26-7 |
| Molecular Weight (g/mol) | 227.172 |
| MDL Number | MFCD00017022 |
| SMILES | COC1=CC(=C(C(=C1)C(=O)O)OC)[N+](=O)[O-] |
| InChI Key | QCJROOYLFVYZEP-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO6 |
3-Bromo-2-fluorotoluene 98.0+%, TCI America™
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CAS: 59907-12-9 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD04972694 InChI Key: LZVNGSFAHGKCDM-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorotoluene,1-bromo-2-fluoro-3-methyl-benzene,benzene, 1-bromo-2-fluoro-3-methyl,2-fluoro-3-bromo toluene,2-fluoro-3-methyl-bromobenzene,pubchem4521,a-bromo-a-fluorotoluene,2-fluoro-3-bromotoluene,acmc-1b1zk,ksc493o4d PubChem CID: 108855 IUPAC Name: 1-bromo-2-fluoro-3-methylbenzene SMILES: CC1=C(C(=CC=C1)Br)F
| PubChem CID | 108855 |
|---|---|
| CAS | 59907-12-9 |
| Molecular Weight (g/mol) | 189.027 |
| MDL Number | MFCD04972694 |
| SMILES | CC1=C(C(=CC=C1)Br)F |
| Synonym | 3-bromo-2-fluorotoluene,1-bromo-2-fluoro-3-methyl-benzene,benzene, 1-bromo-2-fluoro-3-methyl,2-fluoro-3-bromo toluene,2-fluoro-3-methyl-bromobenzene,pubchem4521,a-bromo-a-fluorotoluene,2-fluoro-3-bromotoluene,acmc-1b1zk,ksc493o4d |
| IUPAC Name | 1-bromo-2-fluoro-3-methylbenzene |
| InChI Key | LZVNGSFAHGKCDM-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
2-Chloro-5-fluorotoluene 97.0+%, TCI America™
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CAS: 33406-96-1 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00040853 InChI Key: NIOGDCDTKPQEAT-UHFFFAOYSA-N Synonym: 2-chloro-5-fluorotoluene,3-fluoro-6-chlorotoluene,benzene, 1-chloro-4-fluoro-2-methyl,1-chlor-4-fluor-2-methylbenzol,pubchem1606,acmc-1ajiz,ksc493m2j,6-chloro-3-fluorotoluene PubChem CID: 118475 IUPAC Name: 1-chloro-4-fluoro-2-methylbenzene SMILES: CC1=C(C=CC(=C1)F)Cl
| PubChem CID | 118475 |
|---|---|
| CAS | 33406-96-1 |
| Molecular Weight (g/mol) | 144.573 |
| MDL Number | MFCD00040853 |
| SMILES | CC1=C(C=CC(=C1)F)Cl |
| Synonym | 2-chloro-5-fluorotoluene,3-fluoro-6-chlorotoluene,benzene, 1-chloro-4-fluoro-2-methyl,1-chlor-4-fluor-2-methylbenzol,pubchem1606,acmc-1ajiz,ksc493m2j,6-chloro-3-fluorotoluene |
| IUPAC Name | 1-chloro-4-fluoro-2-methylbenzene |
| InChI Key | NIOGDCDTKPQEAT-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClF |
4-(Diethoxymethyl)-trans-stilbene 98.0+%, TCI America™
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CAS: 381716-24-1 Molecular Formula: C19H22O2 Molecular Weight (g/mol): 282.38 MDL Number: MFCD02093470 InChI Key: LKUHPNYFNZOTGE-UHFFFAOYSA-N Synonym: 4-Formyl-trans-stilbene Diethyl Acetal PubChem CID: 70700030 IUPAC Name: 1-(diethoxymethyl)-4-(2-phenylethenyl)benzene SMILES: CCOC(OCC)C1=CC=C(C=CC2=CC=CC=C2)C=C1
| PubChem CID | 70700030 |
|---|---|
| CAS | 381716-24-1 |
| Molecular Weight (g/mol) | 282.38 |
| MDL Number | MFCD02093470 |
| SMILES | CCOC(OCC)C1=CC=C(C=CC2=CC=CC=C2)C=C1 |
| Synonym | 4-Formyl-trans-stilbene Diethyl Acetal |
| IUPAC Name | 1-(diethoxymethyl)-4-(2-phenylethenyl)benzene |
| InChI Key | LKUHPNYFNZOTGE-UHFFFAOYSA-N |
| Molecular Formula | C19H22O2 |
1-Iodopyrene 98.0+%, TCI America™
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CAS: 34244-15-0 Molecular Formula: C16H9I Molecular Weight (g/mol): 328.152 InChI Key: CWNJSSNWLUIMDP-UHFFFAOYSA-N PubChem CID: 13555714 IUPAC Name: 1-iodopyrene SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)I
| PubChem CID | 13555714 |
|---|---|
| CAS | 34244-15-0 |
| Molecular Weight (g/mol) | 328.152 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)I |
| IUPAC Name | 1-iodopyrene |
| InChI Key | CWNJSSNWLUIMDP-UHFFFAOYSA-N |
| Molecular Formula | C16H9I |
2-Nitro-p-xylylene Glycol 95.0+%, TCI America™
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CAS: 23222-97-1 Molecular Formula: C8H9NO4 Molecular Weight (g/mol): 183.163 MDL Number: MFCD00024286 InChI Key: KWVHOBYJXDKIPL-UHFFFAOYSA-N PubChem CID: 90035 IUPAC Name: [4-(hydroxymethyl)-3-nitrophenyl]methanol SMILES: C1=CC(=C(C=C1CO)[N+](=O)[O-])CO
| PubChem CID | 90035 |
|---|---|
| CAS | 23222-97-1 |
| Molecular Weight (g/mol) | 183.163 |
| MDL Number | MFCD00024286 |
| SMILES | C1=CC(=C(C=C1CO)[N+](=O)[O-])CO |
| IUPAC Name | [4-(hydroxymethyl)-3-nitrophenyl]methanol |
| InChI Key | KWVHOBYJXDKIPL-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO4 |
2-Bromo-4,5-difluorophenol 98.0+%, TCI America™
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CAS: 166281-37-4 Molecular Formula: C6H3BrF2O Molecular Weight (g/mol): 208.99 MDL Number: MFCD00070751 InChI Key: FCYZOOHWUOEAOX-UHFFFAOYSA-N Synonym: 2-bromo-4,5-diflouo phenol,2-bromo-4,5-difluoro-phenol,phenol, 2-bromo-4,5-difluoro,pubchem2835,acmc-1bxcg,2-bromo-4,5-difluoro,intermediates-zcf02247,2-bromo-4,5-difluorophen,ksc494o4b,2-bromo-4,5-difluorophenol PubChem CID: 2736288 IUPAC Name: 2-bromo-4,5-difluorophenol SMILES: OC1=CC(F)=C(F)C=C1Br
| PubChem CID | 2736288 |
|---|---|
| CAS | 166281-37-4 |
| Molecular Weight (g/mol) | 208.99 |
| MDL Number | MFCD00070751 |
| SMILES | OC1=CC(F)=C(F)C=C1Br |
| Synonym | 2-bromo-4,5-diflouo phenol,2-bromo-4,5-difluoro-phenol,phenol, 2-bromo-4,5-difluoro,pubchem2835,acmc-1bxcg,2-bromo-4,5-difluoro,intermediates-zcf02247,2-bromo-4,5-difluorophen,ksc494o4b,2-bromo-4,5-difluorophenol |
| IUPAC Name | 2-bromo-4,5-difluorophenol |
| InChI Key | FCYZOOHWUOEAOX-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2O |
3-tert-Butylaniline 98.0+%, TCI America™
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CAS: 5369-19-7 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00125078 InChI Key: DPKTVUKEPNBABS-UHFFFAOYSA-N Synonym: 3-tert-butyl aniline,3-tert-butylbenzenamine,benzenamine, 3-1,1-dimethylethyl,3-t-butyl aniline,3-tert-butyl-phenylamine,3-tert-butyl phenylamine,3-tert-butylphenyl amine,m-t-butylaniline,3-t-butylaniline,m-tert-butylaniline PubChem CID: 79334 IUPAC Name: 3-tert-butylaniline SMILES: CC(C)(C)C1=CC=CC(N)=C1
| PubChem CID | 79334 |
|---|---|
| CAS | 5369-19-7 |
| Molecular Weight (g/mol) | 149.24 |
| MDL Number | MFCD00125078 |
| SMILES | CC(C)(C)C1=CC=CC(N)=C1 |
| Synonym | 3-tert-butyl aniline,3-tert-butylbenzenamine,benzenamine, 3-1,1-dimethylethyl,3-t-butyl aniline,3-tert-butyl-phenylamine,3-tert-butyl phenylamine,3-tert-butylphenyl amine,m-t-butylaniline,3-t-butylaniline,m-tert-butylaniline |
| IUPAC Name | 3-tert-butylaniline |
| InChI Key | DPKTVUKEPNBABS-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
3'-Hydroxyacetanilide 98.0+%, TCI America™
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CAS: 621-42-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002263 InChI Key: QLNWXBAGRTUKKI-UHFFFAOYSA-N Synonym: 3-acetamidophenol,n-3-hydroxyphenyl acetamide,metacetamol,3'-hydroxyacetanilide,m-acetamidophenol,3-hydroxyacetanilide,n-acetyl-m-aminophenol,m-hydroxyacetanilide,3-acetylamino phenol,metalid PubChem CID: 12124 ChEBI: CHEBI:76987 IUPAC Name: N-(3-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC(=CC=C1)O
| PubChem CID | 12124 |
|---|---|
| CAS | 621-42-1 |
| Molecular Weight (g/mol) | 151.165 |
| ChEBI | CHEBI:76987 |
| MDL Number | MFCD00002263 |
| SMILES | CC(=O)NC1=CC(=CC=C1)O |
| Synonym | 3-acetamidophenol,n-3-hydroxyphenyl acetamide,metacetamol,3'-hydroxyacetanilide,m-acetamidophenol,3-hydroxyacetanilide,n-acetyl-m-aminophenol,m-hydroxyacetanilide,3-acetylamino phenol,metalid |
| IUPAC Name | N-(3-hydroxyphenyl)acetamide |
| InChI Key | QLNWXBAGRTUKKI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
1,10-Bis(4-carboxyphenoxy)decane 97.0+%, TCI America™
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CAS: 74774-61-1 Molecular Formula: C24H30O6 Molecular Weight (g/mol): 414.498 MDL Number: MFCD00142356 InChI Key: XRDKWFXOXXUQJS-UHFFFAOYSA-N Synonym: p,p′C-Dicarboxy-1,10-diphenoxydecane PubChem CID: 400760 IUPAC Name: 4-[10-(4-carboxyphenoxy)decoxy]benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)OCCCCCCCCCCOC2=CC=C(C=C2)C(=O)O
| PubChem CID | 400760 |
|---|---|
| CAS | 74774-61-1 |
| Molecular Weight (g/mol) | 414.498 |
| MDL Number | MFCD00142356 |
| SMILES | C1=CC(=CC=C1C(=O)O)OCCCCCCCCCCOC2=CC=C(C=C2)C(=O)O |
| Synonym | p,p′C-Dicarboxy-1,10-diphenoxydecane |
| IUPAC Name | 4-[10-(4-carboxyphenoxy)decoxy]benzoic acid |
| InChI Key | XRDKWFXOXXUQJS-UHFFFAOYSA-N |
| Molecular Formula | C24H30O6 |
2,3-Dichloroanisole 97.0+%, TCI America™
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CAS: 1984-59-4 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.02 MDL Number: MFCD00000545 InChI Key: HFEASCCDHUVYKU-UHFFFAOYSA-N Synonym: 2,3-dichloroanisole,benzene, 1,2-dichloro-3-methoxy,2,3-dichloromethoxybenzene,2,3-dichloranisol,dichloroanisole 2,3-,1,2-dichloro-3-methoxy-benzene,dichloroanisol,2,3-dichloro-anisol,pubchem3680,2,3-dichloro anisole PubChem CID: 16126 IUPAC Name: 1,2-dichloro-3-methoxybenzene SMILES: COC1=CC=CC(Cl)=C1Cl
| PubChem CID | 16126 |
|---|---|
| CAS | 1984-59-4 |
| Molecular Weight (g/mol) | 177.02 |
| MDL Number | MFCD00000545 |
| SMILES | COC1=CC=CC(Cl)=C1Cl |
| Synonym | 2,3-dichloroanisole,benzene, 1,2-dichloro-3-methoxy,2,3-dichloromethoxybenzene,2,3-dichloranisol,dichloroanisole 2,3-,1,2-dichloro-3-methoxy-benzene,dichloroanisol,2,3-dichloro-anisol,pubchem3680,2,3-dichloro anisole |
| IUPAC Name | 1,2-dichloro-3-methoxybenzene |
| InChI Key | HFEASCCDHUVYKU-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
4-Phenoxybenzonitrile 98.0+%, TCI America™
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CAS: 3096-81-9 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 InChI Key: UYHCIOZMFCLUDP-UHFFFAOYSA-N Synonym: benzonitrile, 4-phenoxy,4-phenoxybenzenecarbonitrile,4-cyanodiphenyl ether,acmc-209hjp,4-phenoxybenzonitrile,ksc497e6d PubChem CID: 137821 IUPAC Name: 4-phenoxybenzonitrile SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N
| PubChem CID | 137821 |
|---|---|
| CAS | 3096-81-9 |
| Molecular Weight (g/mol) | 195.221 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C#N |
| Synonym | benzonitrile, 4-phenoxy,4-phenoxybenzenecarbonitrile,4-cyanodiphenyl ether,acmc-209hjp,4-phenoxybenzonitrile,ksc497e6d |
| IUPAC Name | 4-phenoxybenzonitrile |
| InChI Key | UYHCIOZMFCLUDP-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO |