Basic information
- CAS
1261991-22-3- Standard SMILES
COC(=O)c1ccc(-c2cccc(Cl)c2C(=O)O)cc1- InChIKey
DMOZQVCBBPPPQL-UHFFFAOYSA-N- Molecular formula
- C15H11ClO4
- Average molar mass
- 290.7 g/mol
- Monoisotopic mass
- 290.0345865
Names & identifiers
- Preferred name
- 6-Chloro-2-(4-methoxycarbonylphenyl)benzoic acid
- IUPAC
- 2-chloro-6-(4-methoxycarbonylphenyl)benzoic acid
Names & synonyms
1261991-22-32-chloro-6-(4-methoxycarbonylphenyl)benzoic acidMFCD183212446-CHLORO-2-(4-METHOXYCARBONYLPHENYL)BENZOIC ACIDDTXSID406907226-Chloro-2-(4-methoxycarbonylphenyl)benzoic acid, 95%3-Chloro-4'-(methoxycarbonyl)[1,1'-biphenyl]-2-carboxylic acid
Database identifiers
- CAS
1261991-22-3- PubChem CID
- 53227135
- DTXSID
DTXSID40690722
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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