2-Phenylethyl 4-chlorobenzoate
Basic information
- CAS
43047-95-6- Standard SMILES
O=C(OCCc1ccccc1)c1ccc(Cl)cc1- InChIKey
CLORGXVHZOTBAZ-UHFFFAOYSA-N- Molecular formula
- C15H13ClO2
- Average molar mass
- 260.71 g/mol
- Monoisotopic mass
- 260.0604073
Names & identifiers
- Preferred name
- 2-Phenylethyl 4-chlorobenzoate
- IUPAC
- 2-phenylethyl 4-chlorobenzoate
Names & synonyms
2-Phenylethyl 4-chlorobenzoate43047-95-64-Chlorobenzoic acid, 2-phenylethyl esterDTXSID10278591Benzoic acid, 4-chloro, 2-phenylethyl esterRefChem:265350DTXCID50229749CLORGXVHZOTBAZ-UHFFFAOYSA-NBenzoicacid, 4-chloro-, 2-phenylethyl esterSCHEMBL27695870NSC83192-Phenylethyl 4-chlorobenzoate #
Show more names
NSC-8319AKOS003447293
Database identifiers
- CAS
43047-95-6- PubChem CID
- 222402
- DTXSID
DTXSID10278591
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
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Compound notes
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