(4-Chlorophenyl)methyl propanoate
Basic information
- CAS
16932-25-5- Standard SMILES
CCC(=O)OCc1ccc(Cl)cc1- InChIKey
RFUPQAPIXZXSRH-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- (4-Chlorophenyl)methyl propanoate
- IUPAC
- (4-chlorophenyl)methyl propanoate
Names & synonyms
16932-25-5(4-chlorophenyl)methyl propanoateNSC404611SCHEMBL1709750DTXSID80937623NSC-404611
Database identifiers
- CAS
16932-25-5- PubChem CID
- 346381
- DTXSID
DTXSID80937623- Nikkaji
- J341.543K
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
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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