Basic information
- CAS
53347-19-6- Standard SMILES
CCc1cc(Cl)ccc1OC(=O)CCl- InChIKey
CFICYSDKCUGCIX-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O2
- Average molar mass
- 233.09 g/mol
- Monoisotopic mass
- 232.0057849
Names & identifiers
- Preferred name
- Acetic acid, chloro-, 4-chloro-2-ethylphenyl ester
- IUPAC
- (4-chloro-2-ethylphenyl) 2-chloroacetate
- English name
- Chloroacetic acid 4-chloro-2-ethylphenyl ester
- Molecular formula
- C10H10Cl2O2
- Molecular weight
- 233.09
Names & synonyms
Chloroacetic acid 4-chloro-2-ethylphenyl ester53347-19-6ACETIC ACID, CHLORO-, 4-CHLORO-2-ETHYLPHENYL ESTERBRN 1875145DTXSID50201505RefChem:316583DTXCID101239964-Chloro-2-ethylphenyl chloroacetateDB-307718Acetic acid, 2-chloro-, 4-chloro-2-ethylphenyl ester
Database identifiers
- CAS
53347-19-6- PubChem CID
- 40740
- DTXSID
DTXSID50201505- Nikkaji
- J79.194F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 306.7 · 306.7±37.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…