2-(4-Methoxyanilino)-5-nitrobenzoic acid
Basic information
- CAS
6686-68-6- Standard SMILES
COc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)cc1- InChIKey
HFTYZAGALOQWBI-UHFFFAOYSA-N- Molecular formula
- C14H12N2O5
- Average molar mass
- 288.25 g/mol
- Monoisotopic mass
- 288.07462149
Names & identifiers
- Preferred name
- 2-(4-Methoxyanilino)-5-nitrobenzoic acid
- IUPAC
- 2-(4-methoxyanilino)-5-nitrobenzoic acid
Names & synonyms
6686-68-62-(4-methoxyanilino)-5-nitrobenzoic acidCHEMBL2042460Benzoic acid, 2-[(4-methoxyphenyl)amino]-5-nitro-2-[(4-METHOXYPHENYL)AMINO]-5-NITROBENZOIC ACIDCBMicro_049088SCHEMBL7331118DTXSID20416866BDBM50385960STL553874AKOS008963388BIM-0049049.P001
Show more names
N-(4-methoxyphenyl)-5-nitro-anthranilic acid
Database identifiers
- CAS
6686-68-6- PubChem CID
- 5339865
- DTXSID
DTXSID20416866- ChEMBL
CHEMBL2042460- Nikkaji
- J29.914F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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