Benzoic acid, 4-methoxy-, 2-acetyl-4-chlorophenyl ester
Basic information
- CAS
88952-01-6- Standard SMILES
COc1ccc(C(=O)Oc2ccc(Cl)cc2C(C)=O)cc1- InChIKey
SAVGGPPGGZXVPM-UHFFFAOYSA-N- Molecular formula
- C16H13ClO4
- Average molar mass
- 304.72 g/mol
- Monoisotopic mass
- 304.0502366
Names & identifiers
- Preferred name
- Benzoic acid, 4-methoxy-, 2-acetyl-4-chlorophenyl ester
- IUPAC
- (2-acetyl-4-chlorophenyl) 4-methoxybenzoate
Names & synonyms
88952-01-6Benzoic acid, 4-methoxy-, 2-acetyl-4-chlorophenyl ester2-ACETYL-4-CHLOROPHENYL 4-METHOXYBENZOATE(2-acetyl-4-chlorophenyl) 4-methoxybenzoateDTXSID60357805SR-01000210451SR-01000210451-1
Database identifiers
- CAS
88952-01-6- PubChem CID
- 868487
- DTXSID
DTXSID60357805- Nikkaji
- J479.322F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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