Basic information
- CAS
81577-34-6- Standard SMILES
CC(Cl)C(=O)OCc1ccccc1- InChIKey
JZYXQRUIIAOBOQ-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
Names & identifiers
- Preferred name
- Benzyl 2-chloropropanoate
- IUPAC
- benzyl 2-chloropropanoate
- English name
- benzyl 2-chloropropanoate
- Molecular formula
- C10H11ClO2
- Molecular weight
- 198.65
Names & synonyms
Benzyl 2-chloropropanoate81577-34-6Phenylmethyl 2-chloropropanoate2-Chloropropionic acid benzyl esterBenzyl 2-chloropropionateK3NK8JZQ7HBenzyl 2-chloropropanoate #SCHEMBL20165512-Chloropropionic acid, benzyl esterMFCD20621914AKOS026730552DA-02625
Show more names
Propanoic acid, 2-chloro-, phenylmethyl esterH28569A1-10113
Database identifiers
- CAS
81577-34-6- PubChem CID
- 560859
- UNII
- K3NK8JZQ7H
- Nikkaji
- J1.466.259F
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 164
Physicochemical properties
- Boiling point
- 119 · 119-120 °C(Press: 6 Torr)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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