Benzenoids
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4-Formylbenzeneboronic acid, 97%
CAS: 87199-17-5 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151823 InChI Key: VXWBQOJISHAKKM-UHFFFAOYSA-N Synonym: 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid PubChem CID: 591073 IUPAC Name: (4-formylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=O)C=C1
| PubChem CID | 591073 |
|---|---|
| CAS | 87199-17-5 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00151823 |
| SMILES | OB(O)C1=CC=C(C=O)C=C1 |
| Synonym | 4-formylphenyl boronic acid,4-formylbenzeneboronic acid,4-boronobenzaldehyde,boronic acid, 4-formylphenyl,boronic acid, b-4-formylphenyl,p-formylphenylboronic acid,4-dihydroxyboryl benzaldehyde,4-dihydroxyboranyl benzaldehyde,4-benzaldehyde boronic acid,4-formyl-phenylboronic acid |
| IUPAC Name | (4-formylphenyl)boronic acid |
| InChI Key | VXWBQOJISHAKKM-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
Ethyl salicylate, 99%
CAS: 118-61-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002215 InChI Key: GYCKQBWUSACYIF-UHFFFAOYSA-N Synonym: ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester PubChem CID: 8365 IUPAC Name: ethyl 2-hydroxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1O
| PubChem CID | 8365 |
|---|---|
| CAS | 118-61-6 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002215 |
| SMILES | CCOC(=O)C1=CC=CC=C1O |
| Synonym | ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester |
| IUPAC Name | ethyl 2-hydroxybenzoate |
| InChI Key | GYCKQBWUSACYIF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Dimethyl terephthalate, 99%
CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 8441 |
|---|---|
| CAS | 120-61-6 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00008440 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate |
| InChI Key | WOZVHXUHUFLZGK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4-Fluorobenzyl bromide, 97%
CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1
| PubChem CID | 68021 |
|---|---|
| CAS | 459-46-1 |
| Molecular Weight (g/mol) | 189.03 |
| MDL Number | MFCD00000359 |
| SMILES | FC1=CC=C(CBr)C=C1 |
| Synonym | 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-4-fluorobenzene |
| InChI Key | NVNPLEPBDPJYRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrF |
4-Amino-2,3,5,6-tetrafluorobenzoic acid, 97%
CAS: 944-43-4 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00007647 InChI Key: WTNSXWSOTDBWOR-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid PubChem CID: 70345 IUPAC Name: 4-amino-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O
| PubChem CID | 70345 |
|---|---|
| CAS | 944-43-4 |
| Molecular Weight (g/mol) | 209.1 |
| MDL Number | MFCD00007647 |
| SMILES | C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)O |
| Synonym | 2,3,5,6-tetrafluoro-4-aminobenzoic acid,acmc-209rrw,4-amino-2,3,5,6-tetrafluorobenzoicacid,2,3,5,6-tetrafluoro-4-amino-benzoic acid,4-amino-2,3,5,6-tetrafluoro-benzoic acid,benzoic acid,4-amino-2,3,5,6-tetrafluoro,benzoic acid, 4-amino-2,3,5,6-tetrafluoro,4-amino-2,3,5,6-tetrafluorobenzoic acid |
| IUPAC Name | 4-amino-2,3,5,6-tetrafluorobenzoic acid |
| InChI Key | WTNSXWSOTDBWOR-UHFFFAOYSA-N |
| Molecular Formula | C7H3F4NO2 |
9,10-Diethoxyanthracene, 98%
CAS: 68818-86-0 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00209643 InChI Key: GJNKQJAJXSUJBO-UHFFFAOYSA-N Synonym: anthracene, 9,10-diethoxy,acmc-1bigo PubChem CID: 111623 IUPAC Name: 9,10-diethoxyanthracene SMILES: CCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCC
| PubChem CID | 111623 |
|---|---|
| CAS | 68818-86-0 |
| Molecular Weight (g/mol) | 266.34 |
| MDL Number | MFCD00209643 |
| SMILES | CCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCC |
| Synonym | anthracene, 9,10-diethoxy,acmc-1bigo |
| IUPAC Name | 9,10-diethoxyanthracene |
| InChI Key | GJNKQJAJXSUJBO-UHFFFAOYSA-N |
| Molecular Formula | C18H18O2 |
Dibenzosuberone, 97%
CAS: 1210-35-1 Molecular Formula: C15H12O Molecular Weight (g/mol): 208.26 MDL Number: MFCD00003587 InChI Key: BMVWCPGVLSILMU-UHFFFAOYSA-N Synonym: dibenzosuberone,dibenzocycloheptenone,dibenzosuberan-5-one,dibenzsuberone,5-dibenzosuberone,2,3:6,7-dibenzosuberone,5h-dibenzo a,d cyclohepten-5-one, 10,11-dihydro,unii-8etk71th0h,dibenzo b,f cycloheptan-1-one,ccris 2780 PubChem CID: 14589 SMILES: O=C1C2=CC=CC=C2CCC2=CC=CC=C12
| PubChem CID | 14589 |
|---|---|
| CAS | 1210-35-1 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00003587 |
| SMILES | O=C1C2=CC=CC=C2CCC2=CC=CC=C12 |
| Synonym | dibenzosuberone,dibenzocycloheptenone,dibenzosuberan-5-one,dibenzsuberone,5-dibenzosuberone,2,3:6,7-dibenzosuberone,5h-dibenzo a,d cyclohepten-5-one, 10,11-dihydro,unii-8etk71th0h,dibenzo b,f cycloheptan-1-one,ccris 2780 |
| InChI Key | BMVWCPGVLSILMU-UHFFFAOYSA-N |
| Molecular Formula | C15H12O |
2-Amino-4-nitrobenzoic acid, 97+%
CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
| PubChem CID | 12076 |
|---|---|
| CAS | 619-17-0 |
| Molecular Weight (g/mol) | 182.14 |
| ChEBI | CHEBI:75335 |
| MDL Number | MFCD00007262 |
| SMILES | NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O |
| Synonym | 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 |
| IUPAC Name | 2-amino-4-nitrobenzoic acid |
| InChI Key | UEALKTCRMBVTFN-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O4 |
9-Fluorenone-2-carboxylic acid, 97%, Thermo Scientific™
CAS: 784-50-9 Molecular Formula: C14H8O3 Molecular Weight (g/mol): 224.22 MDL Number: MFCD00001156 InChI Key: BJCTXUUKONLPPK-UHFFFAOYSA-N Synonym: 9-fluorenone-2-carboxylic acid,9-oxo-9h-fluorene-2-carboxylic acid,fluorenone-2-carboxylic acid,9-oxofluoren-2-carboxylic acid,9h-fluorene-2-carboxylic acid, 9-oxo,9-fluorenone-2-carboxylicacid,9-oxo-2-fluorenecarboxylic acid,bjctxuukonlppk-uhfffaoysa,9-oxo-2-fluorene carboxylic acid,9-oxo-fluorene-2-carboxylic acid PubChem CID: 69913 IUPAC Name: 9-oxo-9H-fluorene-2-carboxylic acid SMILES: OC(=O)C1=CC=C2C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 69913 |
|---|---|
| CAS | 784-50-9 |
| Molecular Weight (g/mol) | 224.22 |
| MDL Number | MFCD00001156 |
| SMILES | OC(=O)C1=CC=C2C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 9-fluorenone-2-carboxylic acid,9-oxo-9h-fluorene-2-carboxylic acid,fluorenone-2-carboxylic acid,9-oxofluoren-2-carboxylic acid,9h-fluorene-2-carboxylic acid, 9-oxo,9-fluorenone-2-carboxylicacid,9-oxo-2-fluorenecarboxylic acid,bjctxuukonlppk-uhfffaoysa,9-oxo-2-fluorene carboxylic acid,9-oxo-fluorene-2-carboxylic acid |
| IUPAC Name | 9-oxo-9H-fluorene-2-carboxylic acid |
| InChI Key | BJCTXUUKONLPPK-UHFFFAOYSA-N |
| Molecular Formula | C14H8O3 |
2-Amino-9-fluorenone, 98%
CAS: 3096-57-9 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.22 MDL Number: MFCD00001157 InChI Key: SJODITPGMMSNRF-UHFFFAOYSA-N Synonym: 2-amino-9-fluorenone,2-amino-9h-fluoren-9-one,2-aminofluorenone,9h-fluoren-9-one, 2-amino,9h-fluoren-9-one,2-amino,fluoren-9-one, 2-amino,9h-fluoren-9-one, 2-amino-9ci,2-amino-fluorenon,2-aminofluorenone-9,2-aminofluorene-9-one PubChem CID: 18357 IUPAC Name: 2-aminofluoren-9-one SMILES: NC1=CC=C2C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 18357 |
|---|---|
| CAS | 3096-57-9 |
| Molecular Weight (g/mol) | 195.22 |
| MDL Number | MFCD00001157 |
| SMILES | NC1=CC=C2C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 2-amino-9-fluorenone,2-amino-9h-fluoren-9-one,2-aminofluorenone,9h-fluoren-9-one, 2-amino,9h-fluoren-9-one,2-amino,fluoren-9-one, 2-amino,9h-fluoren-9-one, 2-amino-9ci,2-amino-fluorenon,2-aminofluorenone-9,2-aminofluorene-9-one |
| IUPAC Name | 2-aminofluoren-9-one |
| InChI Key | SJODITPGMMSNRF-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO |
2-Bromo-9-fluorenone, 96%
CAS: 3096-56-8 Molecular Formula: C13H7BrO Molecular Weight (g/mol): 259.10 MDL Number: MFCD00010789 InChI Key: MTCARZDHUIEYMB-UHFFFAOYSA-N Synonym: 2-bromo-9-fluorenone,2-bromo-9h-fluoren-9-one,9h-fluoren-9-one, 2-bromo,2-bromanylfluoren-9-one,acmc-209hjk,2-bromo-9h-fluorenone,ksc318o8f PubChem CID: 725831 IUPAC Name: 2-bromofluoren-9-one SMILES: BrC1=CC=C2C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 725831 |
|---|---|
| CAS | 3096-56-8 |
| Molecular Weight (g/mol) | 259.10 |
| MDL Number | MFCD00010789 |
| SMILES | BrC1=CC=C2C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 2-bromo-9-fluorenone,2-bromo-9h-fluoren-9-one,9h-fluoren-9-one, 2-bromo,2-bromanylfluoren-9-one,acmc-209hjk,2-bromo-9h-fluorenone,ksc318o8f |
| IUPAC Name | 2-bromofluoren-9-one |
| InChI Key | MTCARZDHUIEYMB-UHFFFAOYSA-N |
| Molecular Formula | C13H7BrO |
5-Hydroxy-p-naphthoquinone, 97%
CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxynaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O
| PubChem CID | 3806 |
|---|---|
| CAS | 481-39-0 |
| Molecular Weight (g/mol) | 174.16 |
| ChEBI | CHEBI:15794 |
| MDL Number | MFCD00001684 |
| SMILES | OC1=CC=CC2=C1C(=O)C=CC2=O |
| Synonym | juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon |
| IUPAC Name | 5-hydroxynaphthalene-1,4-dione |
| InChI Key | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
Ethyl benzoate, 99%
CAS: 93-89-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Synonym: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1
| PubChem CID | 7165 |
|---|---|
| CAS | 93-89-0 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00009109 |
| SMILES | CCOC(=O)C1=CC=CC=C1 |
| Synonym | benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 |
| IUPAC Name | ethyl benzoate |
| InChI Key | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Dicyclohexyl phthalate, 99%
CAS: 84-61-7 Molecular Formula: C20H26O4 Molecular Weight (g/mol): 330.42 MDL Number: MFCD00003849 InChI Key: VOWAEIGWURALJQ-UHFFFAOYSA-N Synonym: dicyclohexyl phthalate,ergoplast fdc,unimoll 66,ergoplast.fdc,howflex cp,phthalic acid, dicyclohexyl ester,phthalic acid dicyclohexyl ester,1,2-benzenedicarboxylic acid, dicyclohexyl ester,unii-cgd15m7h2n,ccris 6190 PubChem CID: 6777 ChEBI: CHEBI:34693 IUPAC Name: dicyclohexyl benzene-1,2-dicarboxylate SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
| PubChem CID | 6777 |
|---|---|
| CAS | 84-61-7 |
| Molecular Weight (g/mol) | 330.42 |
| ChEBI | CHEBI:34693 |
| MDL Number | MFCD00003849 |
| SMILES | C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3 |
| Synonym | dicyclohexyl phthalate,ergoplast fdc,unimoll 66,ergoplast.fdc,howflex cp,phthalic acid, dicyclohexyl ester,phthalic acid dicyclohexyl ester,1,2-benzenedicarboxylic acid, dicyclohexyl ester,unii-cgd15m7h2n,ccris 6190 |
| IUPAC Name | dicyclohexyl benzene-1,2-dicarboxylate |
| InChI Key | VOWAEIGWURALJQ-UHFFFAOYSA-N |
| Molecular Formula | C20H26O4 |
2-Methyl-5-nitroaniline, 98+%
CAS: 99-55-8 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007741 InChI Key: DSBIJCMXAIKKKI-UHFFFAOYSA-N Synonym: 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp PubChem CID: 7444 ChEBI: CHEBI:66891 IUPAC Name: 2-methyl-5-nitroaniline SMILES: CC1=CC=C(C=C1N)[N+]([O-])=O
| PubChem CID | 7444 |
|---|---|
| CAS | 99-55-8 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:66891 |
| MDL Number | MFCD00007741 |
| SMILES | CC1=CC=C(C=C1N)[N+]([O-])=O |
| Synonym | 2-amino-4-nitrotoluene,5-nitro-o-toluidine,fast scarlet g,pnot,scarlet g base,2-methyl-5-nitrobenzenamine,4-nitro-2-aminotoluene,devol scarlet b,diabase scarlet g,scarlet base nsp |
| IUPAC Name | 2-methyl-5-nitroaniline |
| InChI Key | DSBIJCMXAIKKKI-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |