Ethyl difluoro(2-methylphenyl)acetate
Basic information
- CAS
698378-71-1- Standard SMILES
CCOC(=O)C(F)(F)c1ccccc1C- InChIKey
PPJHEHGTSULBGX-UHFFFAOYSA-N- Molecular formula
- C11H12F2O2
- Average molar mass
- 214.21 g/mol
- Monoisotopic mass
- 214.08053595
Names & identifiers
- Preferred name
- Ethyl difluoro(2-methylphenyl)acetate
- IUPAC
- ethyl 2,2-difluoro-2-(2-methylphenyl)acetate
- English name
- Ethyl 2,2-difluoro-2-o-tolylacetate
- Molecular formula
- C11H12F2O2
- Molecular weight
- 214.2085864
Names & synonyms
698378-71-1Ethyl difluoro(2-methylphenyl)acetateDTXSID80673115RefChem:344820DTXCID50623864ETHYL 2,2-DIFLUORO-(2-METHYLPHENYL)ACETATEEthyl 2,2-difluoro-2-(o-tolyl)acetateethyl 2,2-difluoro-2-(2-methylphenyl)acetateMFCD16250756Ethyl2,2-difluoro-2-(o-tolyl)acetateSCHEMBL15314784PPJHEHGTSULBGX-UHFFFAOYSA-N
Show more names
Ethyl 2,2-difluoro-2-o-tolylacetateEthyl α,α-difluoro-2-methylbenzeneacetateEthyl2,2-difluoro-2-(2-methylphenyl)acetateBenzeneacetic acid, α,α-difluoro-2-methyl-, ethyl ester
AKOS011683102BS-24527Ethyl a,a-difluoro-2-methylbenzeneacetateDB-351339
Database identifiers
- CAS
698378-71-1- PubChem CID
- 46218596
- DTXSID
DTXSID80673115- Nikkaji
- J3.188.305I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 252.5 · 252.5±35.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
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Compound notes
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