Basic information
- CAS
29052-05-9- Standard SMILES
CCCC(=O)Oc1cccc(Cl)c1- InChIKey
HZARZHYUFQHLAF-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- 3-Chlorophenyl butyrate
- IUPAC
- (3-chlorophenyl) butanoate
- English name
- Butyric acid m-chlorophenyl ester
- Molecular weight
- 0
Names & synonyms
3-Chlorophenyl butyrateButyric acid, m-chlorophenyl ester29052-05-9DTXSID20337007RefChem:278621DTXCID70288095HZARZHYUFQHLAF-UHFFFAOYSA-N3-chlorophenyl butanoateButyric acid m-chlorophenyl ester3-Chlorophenyl butyrate #SCHEMBL27348590Butanoic acid, 3-chlorophenyl ester
Database identifiers
- CAS
29052-05-9- PubChem CID
- 537827
- DTXSID
DTXSID20337007- Nikkaji
- J99.575D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…