Benzenoids
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Fullerene powder, 99.5% C{60}
CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
| PubChem CID | 123591 |
|---|---|
| CAS | 99685-96-8 |
| Molecular Weight (g/mol) | 720.66 |
| ChEBI | CHEBI:33128 |
| MDL Number | MFCD00151408 |
| SMILES | C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41 |
| Synonym | fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih |
| IUPAC Name | (C\{60}-I\{h})[5,6]fullerene |
| InChI Key | XMWRBQBLMFGWIX-UHFFFAOYSA-N |
| Molecular Formula | C60 |
2-Amino-6-nitrobenzoic acid, 97%
CAS: 50573-74-5 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 MDL Number: MFCD00034785 InChI Key: GGKYLHNARFFORH-UHFFFAOYSA-N Synonym: 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d PubChem CID: 95795 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N
| PubChem CID | 95795 |
|---|---|
| CAS | 50573-74-5 |
| Molecular Weight (g/mol) | 182.135 |
| MDL Number | MFCD00034785 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N |
| Synonym | 2-amino-6-nitrobenzoic acid,benzoic acid, 2-amino-6-nitro,6-nitroanthranilic acid,2-amino-6-nitro-benzoic acid,2-amino-6-nitrobenzoicacid,6-nitroanthanilic acid,acmc-209knw,6-nitro-anthranilic acid,6-nitro-2-aminobenzoesaure,ksc911o8d |
| InChI Key | GGKYLHNARFFORH-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O4 |
Nitroterephthalic acid, 99%
CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
| PubChem CID | 69122 |
|---|---|
| CAS | 610-29-7 |
| Molecular Weight (g/mol) | 211.129 |
| MDL Number | MFCD00007141 |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O |
| Synonym | nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u |
| InChI Key | QUMITRDILMWWBC-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO6 |
2,5-Difluoro-4-nitrobenzoic acid, 97%
CAS: 116465-48-6 Molecular Formula: C7H3F2NO4 Molecular Weight (g/mol): 203.101 MDL Number: MFCD03425705 InChI Key: GPTNSBLYGCZJQV-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-nitrobenzoic acid,2,5-difluoro-4-nitrobenzenecarboxylic acid,2,5-difluoro-4-nitrobenzic acid,2,5-difluoro-4-nitrobenzoicacid,2,5-difluoro-4-nitro-benzoic acid,benzoic acid, 2,5-difluoro-4-nitro,2,5-difluoro-4-nitrobenzenecarboxylicacid,pubchem9789,acmc-2099sr,ksc495m6l PubChem CID: 246375 SMILES: C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O
| PubChem CID | 246375 |
|---|---|
| CAS | 116465-48-6 |
| Molecular Weight (g/mol) | 203.101 |
| MDL Number | MFCD03425705 |
| SMILES | C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O |
| Synonym | 2,5-difluoro-4-nitrobenzoic acid,2,5-difluoro-4-nitrobenzenecarboxylic acid,2,5-difluoro-4-nitrobenzic acid,2,5-difluoro-4-nitrobenzoicacid,2,5-difluoro-4-nitro-benzoic acid,benzoic acid, 2,5-difluoro-4-nitro,2,5-difluoro-4-nitrobenzenecarboxylicacid,pubchem9789,acmc-2099sr,ksc495m6l |
| InChI Key | GPTNSBLYGCZJQV-UHFFFAOYSA-N |
| Molecular Formula | C7H3F2NO4 |
Methyl 3-fluoro-4-nitrobenzoate, 97%
CAS: 185629-31-6 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD08444027 InChI Key: FKMZNQQOPCCUTD-UHFFFAOYSA-N PubChem CID: 592761 IUPAC Name: methyl 3-fluoro-4-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F
| PubChem CID | 592761 |
|---|---|
| CAS | 185629-31-6 |
| Molecular Weight (g/mol) | 199.137 |
| MDL Number | MFCD08444027 |
| SMILES | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F |
| IUPAC Name | methyl 3-fluoro-4-nitrobenzoate |
| InChI Key | FKMZNQQOPCCUTD-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO4 |
2,6-Dimethoxy-3-nitrobenzoic acid, 97%
CAS: 55776-17-5 Molecular Formula: C9H9NO6 Molecular Weight (g/mol): 227.172 MDL Number: MFCD00017324 InChI Key: YIKBQFPTPKEFSM-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro PubChem CID: 3085094 IUPAC Name: 2,6-dimethoxy-3-nitrobenzoic acid SMILES: COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O
| PubChem CID | 3085094 |
|---|---|
| CAS | 55776-17-5 |
| Molecular Weight (g/mol) | 227.172 |
| MDL Number | MFCD00017324 |
| SMILES | COC1=C(C(=C(C=C1)[N+](=O)[O-])OC)C(=O)O |
| Synonym | 2,6-dimethoxy-3-nitro-benzoic acid,acmc-20ao8d,benzoic acid, 2,6-dimethoxy-3-nitro |
| IUPAC Name | 2,6-dimethoxy-3-nitrobenzoic acid |
| InChI Key | YIKBQFPTPKEFSM-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO6 |
3-Carboxy-5-nitrobenzeneboronic acid, 97%
CAS: 101084-81-5 Molecular Formula: C7H6BNO6 Molecular Weight (g/mol): 210.936 MDL Number: MFCD00757433 InChI Key: WNIFCLWDGNHGMX-UHFFFAOYSA-N Synonym: 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 PubChem CID: 2773315 IUPAC Name: 3-borono-5-nitrobenzoic acid SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O
| PubChem CID | 2773315 |
|---|---|
| CAS | 101084-81-5 |
| Molecular Weight (g/mol) | 210.936 |
| MDL Number | MFCD00757433 |
| SMILES | B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)O |
| Synonym | 3-carboxy-5-nitrophenylboronic acid,3-nitro-5-carboxyphenylboronic acid,5-nitro-3-carboxyphenylboronic acid,3-carboxy-5-nitrophenyl boronic acid,3-carboxy-5-nitrobenzeneboronic acid,benzoic acid, 3-borono-5-nitro,3-dihydroxyboryl-5-nitrobenzoic acid,3-dihydroxyboranyl-5-nitrobenzoic acid,3-borono-5-nitro-benzoic acid,pubchem5139 |
| IUPAC Name | 3-borono-5-nitrobenzoic acid |
| InChI Key | WNIFCLWDGNHGMX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BNO6 |
2-Fluoro-4-nitrobenzoic acid, 98%
CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
| PubChem CID | 302679 |
|---|---|
| CAS | 403-24-7 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD00275565 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O |
| Synonym | 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure |
| InChI Key | MMWFMFZFCKADEL-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
Methyl 2-hydroxy-5-nitrobenzoate, 98%
CAS: 17302-46-4 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00024695 InChI Key: UUBFELFUKFJSRD-UHFFFAOYSA-N Synonym: methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate PubChem CID: 87041 SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O
| PubChem CID | 87041 |
|---|---|
| CAS | 17302-46-4 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00024695 |
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])O |
| Synonym | methyl 2-hydroxy-5-nitrobenzoate,methyl 5-nitrosalicylate,methyl-5-nitrosalicylate,5-nitrosalicylic acid methyl ester,benzoic acid, 2-hydroxy-5-nitro-, methyl ester,2-hydroxy-5-nitrobenzoic acid methyl ester,methyl 5-nitro-salicylate,acmc-20a62q,methyl 5-nitro-2-hydroxybenzoate,methyl-2-hydroxy-5-nitrobenzoate |
| InChI Key | UUBFELFUKFJSRD-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
2-Methyl-3,5-dinitrobenzoic acid, 97+%
CAS: 28169-46-2 Molecular Formula: C8H6N2O6 Molecular Weight (g/mol): 226.14 MDL Number: MFCD00007161 InChI Key: CDVNZMKTJIBBBV-UHFFFAOYSA-N Synonym: 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro PubChem CID: 98824 IUPAC Name: 2-methyl-3,5-dinitrobenzoic acid SMILES: CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
| PubChem CID | 98824 |
|---|---|
| CAS | 28169-46-2 |
| Molecular Weight (g/mol) | 226.14 |
| MDL Number | MFCD00007161 |
| SMILES | CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Synonym | 2-methyl-3,5-dinitrobenzoic acid,3,5-dinitro-2-methylbenzoic acid,3,5-dinitro-o-toluic acid,benzoic acid, 2-methyl-3,5-dinitro,3,5-dinitrotoluic acid,o-toluic acid, 3,5-dinitro,2-methyl-3,5-dinitro-benzoic acid,3,5-dinitro-2-methyl-benzoic acid,acmc-1cfeu,o-toluic acid,5-dinitro |
| IUPAC Name | 2-methyl-3,5-dinitrobenzoic acid |
| InChI Key | CDVNZMKTJIBBBV-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O6 |
Rosin
CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
| CAS | 8050-09-7 |
|---|---|
| Molecular Weight (g/mol) | 302.46 |
| MDL Number | MFCD00132205 |
| Synonym | 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid |
| InChI Key | RSWGJHLUYNHPMX-UHFFFAOYNA-N |
| Molecular Formula | C20H30O2 |
3-Nitrosalicylic acid, 98%
CAS: 85-38-1 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
| PubChem CID | 6807 |
|---|---|
| CAS | 85-38-1 |
| Molecular Weight (g/mol) | 183.12 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O |
| Synonym | 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q |
| InChI Key | WWWFHFGUOIQNJC-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO5 |
Methyl 4-hydroxy-3-nitrobenzoate, 98+%
CAS: 99-42-3 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00014695 InChI Key: GNCWCTBHZCBXGL-UHFFFAOYSA-N Synonym: methyl 3-nitro-4-hydroxybenzoate,benzoic acid, 4-hydroxy-3-nitro-, methyl ester,4-hydroxy-3-nitrobenzoic acid methyl ester,methyl 3-nitro-4-hydroxy toluate,aurora 6897,3-nitro-4-hydroxybenzoic acid methyl ester,methyl-4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxymethylbenzoate,acmc-209scn,3-10-00-00378 beilstein handbook reference PubChem CID: 66835 IUPAC Name: methyl 4-hydroxy-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-]
| PubChem CID | 66835 |
|---|---|
| CAS | 99-42-3 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00014695 |
| SMILES | COC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| Synonym | methyl 3-nitro-4-hydroxybenzoate,benzoic acid, 4-hydroxy-3-nitro-, methyl ester,4-hydroxy-3-nitrobenzoic acid methyl ester,methyl 3-nitro-4-hydroxy toluate,aurora 6897,3-nitro-4-hydroxybenzoic acid methyl ester,methyl-4-hydroxy-3-nitrobenzoic acid,3-nitro-4-hydroxymethylbenzoate,acmc-209scn,3-10-00-00378 beilstein handbook reference |
| IUPAC Name | methyl 4-hydroxy-3-nitrobenzoate |
| InChI Key | GNCWCTBHZCBXGL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
2-Fluoro-3-nitrobenzoic acid, 97%
CAS: 317-46-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD06797825 InChI Key: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro PubChem CID: 18672992 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
| PubChem CID | 18672992 |
|---|---|
| CAS | 317-46-4 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD06797825 |
| SMILES | OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O |
| Synonym | 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro |
| IUPAC Name | 2-fluoro-3-nitrobenzoic acid |
| InChI Key | WLGUSLGYTNJJFV-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |
2-Nitrobenzoic acid, 95%
CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
| PubChem CID | 11087 |
|---|---|
| CAS | 552-16-9 |
| Molecular Weight (g/mol) | 167.12 |
| ChEBI | CHEBI:25620 |
| MDL Number | MFCD00007137 |
| SMILES | C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-] |
| Synonym | 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid |
| InChI Key | SLAMLWHELXOEJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO4 |