Basic information
- CAS
35875-16-2- Standard SMILES
O=C(O)c1cccc(Nc2c(C(=O)O)cccc2[N+](=O)[O-])c1- InChIKey
OADNRDRCKJFASV-UHFFFAOYSA-N- Molecular formula
- C14H10N2O6
- Average molar mass
- 302.24 g/mol
- Monoisotopic mass
- 302.05388604
Names & identifiers
- Preferred name
- Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-
- IUPAC
- 2-(3-carboxyanilino)-3-nitrobenzoic acid
Names & synonyms
35875-16-2Benzoic acid, 2-((3-carboxyphenyl)amino)-3-nitro-NSC 696047DTXSID30189433Benzoic acid, 2-[(3-carboxyphenyl)amino]-3-nitro-RefChem:326649DTXCID601119242-(3-Carboxyanilino)-3-nitrobenzoic acidPX85N2HA5KNSC696047UNII-PX85N2HA5KNSC-696047
Show more names
2-[(3-carboxyphenyl)amino]-3-nitrobenzoic acidCHEMBL1982827NCI60_0343182-(3-carboxyanilino)-3-nitro-benzoic acid
Database identifiers
- CAS
35875-16-2- PubChem CID
- 393671
- DTXSID
DTXSID30189433- ChEMBL
CHEMBL1982827- UNII
- PX85N2HA5K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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