Basic information
- CAS
7476-98-4- Standard SMILES
CCC(=O)OC(c1ccccc1)c1ccc(Cl)cc1- InChIKey
BHFLFCBDGYNXQE-UHFFFAOYSA-N- Molecular formula
- C16H15ClO2
- Average molar mass
- 274.74 g/mol
- Monoisotopic mass
- 274.0760574
Names & identifiers
- Preferred name
- [(4-Chlorophenyl)-phenylmethyl] propanoate
- IUPAC
- [(4-chlorophenyl)-phenylmethyl] propanoate
Names & synonyms
7476-98-4(4-Chlorophenyl)(phenyl)methyl propanoate[(4-chlorophenyl)-phenylmethyl] propanoateNSC404617DTXSID40323664NSC-404617
Database identifiers
- CAS
7476-98-4- PubChem CID
- 346387
- DTXSID
DTXSID40323664
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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