Basic information
- CAS
88952-12-9- Standard SMILES
CC(=O)c1cc(Cl)cc(C)c1OC(=O)c1ccccc1C- InChIKey
WINCZXXMFMUONV-UHFFFAOYSA-N- Molecular formula
- C17H15ClO3
- Average molar mass
- 302.7 g/mol
- Monoisotopic mass
- 302.070972
Names & identifiers
- Preferred name
- 2-Acetyl-4-chloro-6-methylphenyl 2-methylbenzoate
- IUPAC
- (2-acetyl-4-chloro-6-methylphenyl) 2-methylbenzoate
Names & synonyms
88952-12-92-Acetyl-4-chloro-6-methylphenyl 2-methylbenzoateDTXSID80526016
Database identifiers
- CAS
88952-12-9- PubChem CID
- 13190815
- DTXSID
DTXSID80526016
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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