Ethyl 2-chloro-3-hydroxy-3-phenylbutanoate
Basic information
- CAS
91767-65-6- Standard SMILES
CCOC(=O)C(Cl)C(C)(O)c1ccccc1- InChIKey
PKNSTKFOOAFKHC-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- Ethyl 2-chloro-3-hydroxy-3-phenylbutanoate
- IUPAC
- ethyl 2-chloro-3-hydroxy-3-phenylbutanoate
Names & synonyms
ethyl 2-chloro-3-hydroxy-3-phenylbutanoate91767-65-6NSC173985DTXSID80306072NSC-173985DS-000867Ethyl 2-chloro-3-hydroxy-3-phenyl-butanoate
Database identifiers
- CAS
91767-65-6- PubChem CID
- 299969
- DTXSID
DTXSID80306072
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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