Basic information
- CAS
4010-22-4- Standard SMILES
CC(=O)c1cc(C)ccc1OC(=O)c1ccc(Cl)cc1- InChIKey
DEQKOXOQMBJDRS-UHFFFAOYSA-N- Molecular formula
- C16H13ClO3
- Average molar mass
- 288.72 g/mol
- Monoisotopic mass
- 288.055322
Names & identifiers
- Preferred name
- 2-Acetyl-4-methylphenyl 4-chlorobenzoate
- IUPAC
- (2-acetyl-4-methylphenyl) 4-chlorobenzoate
Names & synonyms
2-Acetyl-4-methylphenyl 4-chlorobenzoate4010-22-4DTXSID90343094RefChem:255078DTXCID50294174(2-acetyl-4-methylphenyl) 4-chlorobenzoateDEQKOXOQMBJDRS-UHFFFAOYSA-NSTK925181AKOS002255294CCG-247149NCGC00338381-012-Acetyl-4-methylphenyl 4-chlorobenzoate #
Show more names
ST50752062VU0606039-1AB01330926-02Benzoic acid, 4-chloro-, 2-acetyl-4-methylphenyl esterF3228-0166
Database identifiers
- CAS
4010-22-4- PubChem CID
- 587394
- DTXSID
DTXSID90343094
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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