Basic information
- CAS
16932-26-6- Standard SMILES
CCCC(=O)OCc1ccc(Cl)cc1- InChIKey
CMDPOWVSCTTXQO-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0604073
Names & identifiers
- Preferred name
- (4-Chlorophenyl)methyl butanoate
- IUPAC
- (4-chlorophenyl)methyl butanoate
Names & synonyms
16932-26-6(4-chlorophenyl)methyl butanoateNSC404754DTXSID50323731NSC-404754
Database identifiers
- CAS
16932-26-6- PubChem CID
- 346502
- DTXSID
DTXSID50323731- Nikkaji
- J3.704.601I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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