2-(3-Chloroanilino)-5-methoxybenzoic acid
Basic information
- CAS
56980-12-2- Standard SMILES
COc1ccc(Nc2cccc(Cl)c2)c(C(=O)O)c1- InChIKey
XIOQXUPGFMFNOF-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO3
- Average molar mass
- 277.7 g/mol
- Monoisotopic mass
- 277.0505709
Names & identifiers
- Preferred name
- 2-(3-Chloroanilino)-5-methoxybenzoic acid
- IUPAC
- 2-(3-chloroanilino)-5-methoxybenzoic acid
Names & synonyms
2-(3-chloroanilino)-5-methoxybenzoic acid56980-12-2NSC148863Maybridge3_005818Oprea1_132513MLS000701241CHEMBL1329175DTXSID50302107HMS1447I10HMS2573D10CCG-55086NSC-148863
Show more names
IDI1_017205SMR000231062SR-01000644132-1
Database identifiers
- CAS
56980-12-2- PubChem CID
- 288131
- DTXSID
DTXSID50302107- ChEMBL
CHEMBL1329175
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
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Compound notes
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