Basic information
- Standard SMILES
CN(C)c1ccc(Nc2c([N+](=O)[O-])ccc(Cl)c2C(=O)O)cc1- InChIKey
MLARCJBQNGCJEF-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O4
- Average molar mass
- 335.74 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-2[[4-(dimethylamino)phenyl]amino]3-nitrobenzoic acid
- IUPAC
- 6-chloro-2-[4-(dimethylamino)anilino]-3-nitrobenzoic acid
Names & synonyms
SCHEMBL10643719MLARCJBQNGCJEF-UHFFFAOYSA-N6-chloro-2[[4-(dimethylamino)phenyl]amino]3-nitrobenzoic acid6-chloro-2[[4-(dimethylamino)phenyl]amino]-3-nitrobenzoic acid
Database identifiers
- PubChem CID
- 13588348
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
5 records
Compound notes
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