Basic information
- CAS
1262005-06-0- Standard SMILES
Nc1cccc(-c2cc(Cl)cc(C(=O)O)c2)c1- InChIKey
CRACYEBJKSOZOI-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2
- Average molar mass
- 247.67 g/mol
- Monoisotopic mass
- 247.0400063
Names & identifiers
- Preferred name
- 3-(3-Aminophenyl)-5-chlorobenzoic acid
- IUPAC
- 3-(3-aminophenyl)-5-chlorobenzoic acid
Names & synonyms
1262005-06-03-(3-AMINOPHENYL)-5-CHLOROBENZOIC ACIDMFCD18318997DTXSID106886563-(3-aminophenyl)-5-chloro-benzoic acid3-(3-Aminophenyl)-5-chlorobenzoic acid, 95%3'-Amino-5-chloro[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1262005-06-0- PubChem CID
- 53224924
- DTXSID
DTXSID10688656
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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