2-(5-Chloro-2-methylbenzoyl)benzoic acid
Basic information
- CAS
73041-54-0- Standard SMILES
Cc1ccc(Cl)cc1C(=O)c1ccccc1C(=O)O- InChIKey
ZFIBSUORBHNTBC-UHFFFAOYSA-N- Molecular formula
- C15H11ClO3
- Average molar mass
- 274.7 g/mol
- Monoisotopic mass
- 274.0396719
Names & identifiers
- Preferred name
- 2-(5-Chloro-2-methylbenzoyl)benzoic acid
- IUPAC
- 2-(5-chloro-2-methylbenzoyl)benzoic acid
Names & synonyms
73041-54-02-(5-chloro-2-methylbenzoyl)benzoic acid2-(3-Chloro-6-methylbenzoyl)benzoic acidMFCD009971672-(5-chloro-2-methyl-benzoyl)benzoic acidNSC508403DTXSID10325458o-(5-Chloro-o-tuluyl)benzoic acidNSC-5084032-(5-chloro-2-methylbenzoyl)benzoicacidF400472
Database identifiers
- CAS
73041-54-0- PubChem CID
- 350184
- DTXSID
DTXSID10325458
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 355
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Compound notes
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