Ethyl 2-chloro-2-(3,4-dimethylphenyl)acetate
Basic information
- CAS
79714-32-2- Standard SMILES
CCOC(=O)C(Cl)c1ccc(C)c(C)c1- InChIKey
LXCMAVGXLLQHIN-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- Ethyl 2-chloro-2-(3,4-dimethylphenyl)acetate
- IUPAC
- ethyl 2-chloro-2-(3,4-dimethylphenyl)acetate
- English name
- 2-Chloro-2-(3,4-dimethylphenyl)-acetic acid ethyl ester
- Molecular formula
- C12H15ClO2
- Molecular weight
- 226.7
Names & synonyms
79714-32-2Ethyl 2-chloro-2-(3,4-dimethylphenyl)acetateethyl alpha-chloro-alpha-(3,4-dimethylphenyl)acetateSCHEMBL93809212-chloro-2-(3,4-dimethylphenyl)acetic acid ethyl esterBenzeneacetic acid, a-chloro-3,4-dimethyl-, ethylesterDTXSID00445073LXCMAVGXLLQHIN-UHFFFAOYSA-NAKOS011506185Ethyl chloro(3,4-dimethylphenyl)acetate2-chloro-2-(3,4-dimethylA-phenylA-)-acetA-ic acid ethyl esterethyl α-chloro-α-(3,4-dimethylphenyl)acetate
Show more names
2-Chloro-2-(3,4-dimethylphenyl)-acetic acid ethyl esterBenzeneacetic acid, α-chloro-3,4-dimethyl-, ethyl ester
Database identifiers
- CAS
79714-32-2- PubChem CID
- 10799298
- DTXSID
DTXSID00445073
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 301.5 · 301.5±37.0 °C(Predicted)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
Related reactions
3 records
Compound notes
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