Basic information
- CAS
88952-18-5- Standard SMILES
CC(=O)c1cc(Cl)c(C)cc1OC(=O)c1ccc(C)cc1- InChIKey
VMOUVMHYLZRIIO-UHFFFAOYSA-N- Molecular formula
- C17H15ClO3
- Average molar mass
- 302.7 g/mol
- Monoisotopic mass
- 302.070972
Names & identifiers
- Preferred name
- 2-Acetyl-4-chloro-5-methylphenyl 4-methylbenzoate
- IUPAC
- (2-acetyl-4-chloro-5-methylphenyl) 4-methylbenzoate
Names & synonyms
88952-18-52-Acetyl-4-chloro-5-methylphenyl 4-methylbenzoateDTXSID90526022
Database identifiers
- CAS
88952-18-5- PubChem CID
- 13190821
- DTXSID
DTXSID90526022
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
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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