Benzenoids
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2-Acetyl-7-hydroxybenzofuran 98.0+%, TCI America™
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CAS: 40020-87-9 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00191373 InChI Key: HRIVIHCUSKDPNK-UHFFFAOYSA-N Synonym: 2-Acetyl-7-hydroxycoumarone PubChem CID: 595329 IUPAC Name: 1-(7-hydroxy-1-benzofuran-2-yl)ethan-1-one SMILES: CC(=O)C1=CC2=CC=CC(O)=C2O1
| PubChem CID | 595329 |
|---|---|
| CAS | 40020-87-9 |
| Molecular Weight (g/mol) | 176.17 |
| MDL Number | MFCD00191373 |
| SMILES | CC(=O)C1=CC2=CC=CC(O)=C2O1 |
| Synonym | 2-Acetyl-7-hydroxycoumarone |
| IUPAC Name | 1-(7-hydroxy-1-benzofuran-2-yl)ethan-1-one |
| InChI Key | HRIVIHCUSKDPNK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O3 |
5-Bromo-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 79669-49-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00267350 InChI Key: SEENCYZQHCUTSB-UHFFFAOYSA-N Synonym: 2-methyl-5-bromobenzoic acid,5-bromo-o-toluic acid,5-bromo-2-methyl-benzoic acid,5-bromo-2-methyl benzoic acid,synquest 2721-9-x8,benzoic acid, 5-bromo-2-methyl,pubchem4728,acmc-1bhwo,3-bromo-6-methylbenzoic acid,ksc497q7f PubChem CID: 346004 IUPAC Name: 5-bromo-2-methylbenzoic acid SMILES: CC1=CC=C(Br)C=C1C(O)=O
| PubChem CID | 346004 |
|---|---|
| CAS | 79669-49-1 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00267350 |
| SMILES | CC1=CC=C(Br)C=C1C(O)=O |
| Synonym | 2-methyl-5-bromobenzoic acid,5-bromo-o-toluic acid,5-bromo-2-methyl-benzoic acid,5-bromo-2-methyl benzoic acid,synquest 2721-9-x8,benzoic acid, 5-bromo-2-methyl,pubchem4728,acmc-1bhwo,3-bromo-6-methylbenzoic acid,ksc497q7f |
| IUPAC Name | 5-bromo-2-methylbenzoic acid |
| InChI Key | SEENCYZQHCUTSB-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
(2-Fluorophenyl)thiourea 98.0+%, TCI America™
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CAS: 656-32-6 Molecular Formula: C7H7FN2S Molecular Weight (g/mol): 170.205 MDL Number: MFCD00041148 InChI Key: WYVZQQOFMQRNPF-UHFFFAOYSA-N Synonym: 1-2-fluorophenyl thiourea,2-fluorophenyl thiourea,1-2-fluorophenyl-2-thiourea,thiourea, 2-fluorophenyl,n-2-fluorophenyl thiourea,amino 2-fluorophenyl amino methane-1-thione,maybridge1_008774,acmc-1b7vs,2-fluoro-phenyl-thiourea PubChem CID: 2737500 IUPAC Name: (2-fluorophenyl)thiourea SMILES: C1=CC=C(C(=C1)NC(=S)N)F
| PubChem CID | 2737500 |
|---|---|
| CAS | 656-32-6 |
| Molecular Weight (g/mol) | 170.205 |
| MDL Number | MFCD00041148 |
| SMILES | C1=CC=C(C(=C1)NC(=S)N)F |
| Synonym | 1-2-fluorophenyl thiourea,2-fluorophenyl thiourea,1-2-fluorophenyl-2-thiourea,thiourea, 2-fluorophenyl,n-2-fluorophenyl thiourea,amino 2-fluorophenyl amino methane-1-thione,maybridge1_008774,acmc-1b7vs,2-fluoro-phenyl-thiourea |
| IUPAC Name | (2-fluorophenyl)thiourea |
| InChI Key | WYVZQQOFMQRNPF-UHFFFAOYSA-N |
| Molecular Formula | C7H7FN2S |
2,3-Dichlorobenzyl Alcohol 98.0+%, TCI America™
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CAS: 38594-42-2 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00238581 InChI Key: STVBVTWXWZMRPZ-UHFFFAOYSA-N PubChem CID: 228603 IUPAC Name: (2,3-dichlorophenyl)methanol SMILES: C1=CC(=C(C(=C1)Cl)Cl)CO
| PubChem CID | 228603 |
|---|---|
| CAS | 38594-42-2 |
| Molecular Weight (g/mol) | 177.024 |
| MDL Number | MFCD00238581 |
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)CO |
| IUPAC Name | (2,3-dichlorophenyl)methanol |
| InChI Key | STVBVTWXWZMRPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6Cl2O |
2,4-Dinitrodiphenylamine 98.0+%, TCI America™
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CAS: 961-68-2 Molecular Formula: C12H9N3O4 Molecular Weight (g/mol): 259.221 MDL Number: MFCD00007223 InChI Key: RHTVQEPJVKUMPI-UHFFFAOYSA-N Synonym: 2,4-dinitrodiphenylamine,serisol yellow 2g,supracet yellow 3g,c.i. disperse yellow 14,o,p-dinitrodiphenylamine,acetoquinone yellow 5jz,benzenamine, 2,4-dinitro-n-phenyl,n-phenyl-2,4-dinitroaniline,diphenylamine, 2,4-dinitro,n-2,4-dinitrophenyl aniline PubChem CID: 13748 IUPAC Name: 2,4-dinitro-N-phenylaniline SMILES: C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
| PubChem CID | 13748 |
|---|---|
| CAS | 961-68-2 |
| Molecular Weight (g/mol) | 259.221 |
| MDL Number | MFCD00007223 |
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| Synonym | 2,4-dinitrodiphenylamine,serisol yellow 2g,supracet yellow 3g,c.i. disperse yellow 14,o,p-dinitrodiphenylamine,acetoquinone yellow 5jz,benzenamine, 2,4-dinitro-n-phenyl,n-phenyl-2,4-dinitroaniline,diphenylamine, 2,4-dinitro,n-2,4-dinitrophenyl aniline |
| IUPAC Name | 2,4-dinitro-N-phenylaniline |
| InChI Key | RHTVQEPJVKUMPI-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3O4 |
3-Bromo-4-(trifluoromethoxy)aniline 97.0+%, TCI America™
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CAS: 191602-54-7 Molecular Formula: C7H5BrF3NO Molecular Weight (g/mol): 256.022 MDL Number: MFCD00190127 InChI Key: RAQMUBDHNKQNTD-UHFFFAOYSA-N Synonym: 3-bromo-4-trifluoromethoxy aniline,3-bromo-4-trifluoromethoxy benzenamine,4-amino-2-bromo trifluoromethoxy benzene,3-bromo-4-trifluoromethoxy-phenylamine,2-bromo-4-amino-trifluoromethoxybenzene,benzenamine, 3-bromo-4-trifluoromethoxy,1-amino-3-bromo-4-trifluoromethoxy benzene,pubchem2925,ksc496c0p PubChem CID: 2736418 IUPAC Name: 3-bromo-4-(trifluoromethoxy)aniline SMILES: C1=CC(=C(C=C1N)Br)OC(F)(F)F
| PubChem CID | 2736418 |
|---|---|
| CAS | 191602-54-7 |
| Molecular Weight (g/mol) | 256.022 |
| MDL Number | MFCD00190127 |
| SMILES | C1=CC(=C(C=C1N)Br)OC(F)(F)F |
| Synonym | 3-bromo-4-trifluoromethoxy aniline,3-bromo-4-trifluoromethoxy benzenamine,4-amino-2-bromo trifluoromethoxy benzene,3-bromo-4-trifluoromethoxy-phenylamine,2-bromo-4-amino-trifluoromethoxybenzene,benzenamine, 3-bromo-4-trifluoromethoxy,1-amino-3-bromo-4-trifluoromethoxy benzene,pubchem2925,ksc496c0p |
| IUPAC Name | 3-bromo-4-(trifluoromethoxy)aniline |
| InChI Key | RAQMUBDHNKQNTD-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrF3NO |
2-Amino-4-chlorodiphenyl Ether 98.0+%, TCI America™
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CAS: 93-67-4 Molecular Formula: C12H10ClNO Molecular Weight (g/mol): 219.668 MDL Number: MFCD00025217 InChI Key: SXEBHIMOUHBBOS-UHFFFAOYSA-N Synonym: 2-amino-4-chlorophenyl phenyl ether,benzenamine, 5-chloro-2-phenoxy,4-chlor-2-aminodiphenylether,2-amino-4-chlorodiphenyl ether,5-chloro-2-phenoxy-aniline,unii-66sm796mdb,5-chloro-2-phenoxybenzenamine,5-chloro-2-phenoxyphenylamine,2-amino-4-chlorodiphenylether,4-chloro-2-aminodiphenyl ether PubChem CID: 66738 IUPAC Name: 5-chloro-2-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N
| PubChem CID | 66738 |
|---|---|
| CAS | 93-67-4 |
| Molecular Weight (g/mol) | 219.668 |
| MDL Number | MFCD00025217 |
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)N |
| Synonym | 2-amino-4-chlorophenyl phenyl ether,benzenamine, 5-chloro-2-phenoxy,4-chlor-2-aminodiphenylether,2-amino-4-chlorodiphenyl ether,5-chloro-2-phenoxy-aniline,unii-66sm796mdb,5-chloro-2-phenoxybenzenamine,5-chloro-2-phenoxyphenylamine,2-amino-4-chlorodiphenylether,4-chloro-2-aminodiphenyl ether |
| IUPAC Name | 5-chloro-2-phenoxyaniline |
| InChI Key | SXEBHIMOUHBBOS-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClNO |
4-Chlorobutyl Benzoate 98.0+%, TCI America™
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CAS: 946-02-1 Molecular Formula: C11H13ClO2 Molecular Weight (g/mol): 212.673 MDL Number: MFCD00019005 InChI Key: XFFQVVCNZAYQSJ-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Chlorobutyl Ester PubChem CID: 136761 IUPAC Name: 4-chlorobutyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCCCCCl
| PubChem CID | 136761 |
|---|---|
| CAS | 946-02-1 |
| Molecular Weight (g/mol) | 212.673 |
| MDL Number | MFCD00019005 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCl |
| Synonym | Benzoic Acid 4-Chlorobutyl Ester |
| IUPAC Name | 4-chlorobutyl benzoate |
| InChI Key | XFFQVVCNZAYQSJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClO2 |
4-Isopropoxyaniline 98.0+%, TCI America™
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CAS: 7664-66-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00059188 InChI Key: MLNFMFAMNBGAQT-UHFFFAOYSA-N PubChem CID: 82112 IUPAC Name: 4-propan-2-yloxyaniline SMILES: CC(C)OC1=CC=C(C=C1)N
| PubChem CID | 82112 |
|---|---|
| CAS | 7664-66-6 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00059188 |
| SMILES | CC(C)OC1=CC=C(C=C1)N |
| IUPAC Name | 4-propan-2-yloxyaniline |
| InChI Key | MLNFMFAMNBGAQT-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
4-(1,1,2,2-Tetrafluoroethoxy)benzoic Acid 98.0+%, TCI America™
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CAS: 10009-25-3 Molecular Formula: C9H6F4O3 Molecular Weight (g/mol): 238.14 MDL Number: MFCD00155926 InChI Key: SVGWTILJZWYEMD-UHFFFAOYSA-N PubChem CID: 2776639 IUPAC Name: 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid SMILES: OC(=O)C1=CC=C(OC(F)(F)C(F)F)C=C1
| PubChem CID | 2776639 |
|---|---|
| CAS | 10009-25-3 |
| Molecular Weight (g/mol) | 238.14 |
| MDL Number | MFCD00155926 |
| SMILES | OC(=O)C1=CC=C(OC(F)(F)C(F)F)C=C1 |
| IUPAC Name | 4-(1,1,2,2-tetrafluoroethoxy)benzoic acid |
| InChI Key | SVGWTILJZWYEMD-UHFFFAOYSA-N |
| Molecular Formula | C9H6F4O3 |
2,4-Dichloro-N-methylbenzylamine 98.0+%, TCI America™
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CAS: 5013-77-4 Molecular Formula: C8H9Cl2N Molecular Weight (g/mol): 190.067 MDL Number: MFCD00045185 InChI Key: GUJXWKXDISDARD-UHFFFAOYSA-N Synonym: 2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine PubChem CID: 485424 IUPAC Name: 1-(2,4-dichlorophenyl)-N-methylmethanamine SMILES: CNCC1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 485424 |
|---|---|
| CAS | 5013-77-4 |
| Molecular Weight (g/mol) | 190.067 |
| MDL Number | MFCD00045185 |
| SMILES | CNCC1=C(C=C(C=C1)Cl)Cl |
| Synonym | 2,4-dichlorobenzyl methylamine,n-methyl-2,4-dichlorobenzylamine,benzenemethanamine, 2,4-dichloro-n-methyl,2,4-dichlorophenyl methyl methyl amine,2,4-dichloro-n-methylbenzylamine,1-2,4-dichlorophenyl-n-methylmethanamine,2,4-dichlorophenyl-n-methylmethanamine,n-2,4-dichlorobenzyl-n-methylamine,1-2,4-dichlorophenyl-n-methyl-methanamine,2,4-dichlorobenzyl methyl amine |
| IUPAC Name | 1-(2,4-dichlorophenyl)-N-methylmethanamine |
| InChI Key | GUJXWKXDISDARD-UHFFFAOYSA-N |
| Molecular Formula | C8H9Cl2N |
2,6-Dichlorobenzoyl Chloride 98.0+%, TCI America™
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CAS: 4659-45-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000662 InChI Key: JBLIDPPHFGWTKU-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 PubChem CID: 78392 IUPAC Name: 2,6-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl
| PubChem CID | 78392 |
|---|---|
| CAS | 4659-45-4 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00000662 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl |
| Synonym | benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 |
| IUPAC Name | 2,6-dichlorobenzoyl chloride |
| InChI Key | JBLIDPPHFGWTKU-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
Sodium 4-Hydroxy-3-methoxybenzoate 98.0+%, TCI America™
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CAS: 28508-48-7 Molecular Formula: C8H7NaO4 Molecular Weight (g/mol): 190.13 MDL Number: MFCD00016534 InChI Key: ZFRVFUWCVYLUIH-UHFFFAOYSA-M Synonym: 4-Hydroxy-3-methoxybenzoic Acid Sodium Salt, Sodium Vanillate, Vanillic Acid Sodium Salt PubChem CID: 23675709 IUPAC Name: sodium;4-hydroxy-3-methoxybenzoate SMILES: COC1=C(C=CC(=C1)C(=O)[O-])O.[Na+]
| PubChem CID | 23675709 |
|---|---|
| CAS | 28508-48-7 |
| Molecular Weight (g/mol) | 190.13 |
| MDL Number | MFCD00016534 |
| SMILES | COC1=C(C=CC(=C1)C(=O)[O-])O.[Na+] |
| Synonym | 4-Hydroxy-3-methoxybenzoic Acid Sodium Salt, Sodium Vanillate, Vanillic Acid Sodium Salt |
| IUPAC Name | sodium;4-hydroxy-3-methoxybenzoate |
| InChI Key | ZFRVFUWCVYLUIH-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO4 |
(S)-Glycidyl 4-Nitrobenzenesulfonate 98.0+%, TCI America™
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CAS: 118712-60-0 Molecular Formula: C9H9NO6S Molecular Weight (g/mol): 259.232 MDL Number: MFCD08460170 InChI Key: CXYDYDCHYJXOEY-QMMMGPOBSA-N Synonym: 4-Nitrobenzenesulfonic Acid (S)-Glycidyl Ester PubChem CID: 10868995 IUPAC Name: [(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate SMILES: C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
| PubChem CID | 10868995 |
|---|---|
| CAS | 118712-60-0 |
| Molecular Weight (g/mol) | 259.232 |
| MDL Number | MFCD08460170 |
| SMILES | C1C(O1)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| Synonym | 4-Nitrobenzenesulfonic Acid (S)-Glycidyl Ester |
| IUPAC Name | [(2S)-oxiran-2-yl]methyl 4-nitrobenzenesulfonate |
| InChI Key | CXYDYDCHYJXOEY-QMMMGPOBSA-N |
| Molecular Formula | C9H9NO6S |
Rhapontigenin 98.0+%, TCI America™
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CAS: 500-65-2 Molecular Formula: C15H14O4 Molecular Weight (g/mol): 258.27 MDL Number: MFCD00017718 InChI Key: PHMHDRYYFAYWEG-UHFFFAOYSA-N Synonym: 3,3′C,5-Trihydroxy-4′C-methoxy-trans-stilbene, trans-1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene PubChem CID: 5320954 IUPAC Name: 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol SMILES: COC1=C(O)C=C(C=CC2=CC(O)=CC(O)=C2)C=C1
| PubChem CID | 5320954 |
|---|---|
| CAS | 500-65-2 |
| Molecular Weight (g/mol) | 258.27 |
| MDL Number | MFCD00017718 |
| SMILES | COC1=C(O)C=C(C=CC2=CC(O)=CC(O)=C2)C=C1 |
| Synonym | 3,3′C,5-Trihydroxy-4′C-methoxy-trans-stilbene, trans-1-(3,5-Dihydroxyphenyl)-2-(3-hydroxy-4-methoxyphenyl)ethylene |
| IUPAC Name | 5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol |
| InChI Key | PHMHDRYYFAYWEG-UHFFFAOYSA-N |
| Molecular Formula | C15H14O4 |