Basic information
- CAS
943-59-9- Standard SMILES
O=C(Cc1ccccc1)OCCCl- InChIKey
IFAWZYKLULDJQC-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2
- Average molar mass
- 198.64 g/mol
- Monoisotopic mass
- 198.0447573
Names & identifiers
- Preferred name
- Acetic acid, phenyl-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl 2-phenylacetate
- English name
- 2-chloroethyl 2-phenylacetate
- Molecular formula
- C10H11ClO2
- Molecular weight
- 0
Names & synonyms
943-59-9ACETIC ACID, PHENYL-, 2-CHLOROETHYL ESTERDTXSID60241412RefChem:1075839DTXCID601639032-Chloroethyl phenylacetate2-chloroethyl 2-phenylacetateBRN 1948802b-chloroethyl phenylacetate2-Chloroethyl phenyl acetate3-09-00-02178 (Beilstein Handbook Reference)SCHEMBL10836287
Show more names
β-chloroethyl phenylacetatePhenylacetic acid 2-chloroethyl ester
IFAWZYKLULDJQC-UHFFFAOYSA-NPhenylacetic acid, 2-chloroethyl esterPhenyl-acetic acid 2-chloro-ethyl ester
Database identifiers
- CAS
943-59-9- PubChem CID
- 13672
- DTXSID
DTXSID60241412- Nikkaji
- J54.962B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 285.11 °C · 285.11°C (rough estimate)
- Density
- 1.1698 · 1.1698 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Chemistry & industry
Suppliers1 total
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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