Basic information
- CAS
49551-01-1- Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1Nc1ccccc1- InChIKey
NDJFJYDIKGUXRV-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- Benzoic acid, 4-nitro-2-(phenylamino)-
- IUPAC
- 2-anilino-4-nitrobenzoic acid
Names & synonyms
Benzoic acid, 4-nitro-2-(phenylamino)-49551-01-1DTXSID80469833RefChem:327633DTXCID304206512-anilino-4-nitrobenzoic acidSCHEMBL4164387SCHEMBL95519604-nitro-N-phenylanthranilic acidAKOS0133635614-NITRO-2-(PHENYLAMINO)BENZOIC ACID
Database identifiers
- CAS
49551-01-1- PubChem CID
- 11637458
- DTXSID
DTXSID80469833
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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