2-Phenylethyl trichloroacetate
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Basic information
- CAS
71965-07-6- Standard SMILES
O=C(OCCc1ccccc1)C(Cl)(Cl)Cl- InChIKey
ZIOAZUXFQCBCKA-UHFFFAOYSA-N- Molecular formula
- C10H9Cl3O2
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 265.966813
Names & identifiers
- Preferred name
- 2-Phenylethyl trichloroacetate
- IUPAC
- 2-phenylethyl 2,2,2-trichloroacetate
- English name
- 2-phenylethyl trichloroacetate
- Molecular formula
- C10H9Cl3O2
- Molecular weight
- 267.54
Names & synonyms
2-Phenylethyl trichloroacetate71965-07-62-phenylethyl 2,2,2-trichloroacetateEINECS 276-227-6Trichloroacetic acid, 2-phenylethyl esterSCHEMBL252097942-Phenylethyl trichloroacetate #DTXSID70222252NSC6009NSC 6009NSC-6009NS00037310
Show more names
Trichloroacetic acid phenethyl ester2,2,2-Trichloroacetic acid phenethyl esterAcetic acid, 2,2,2-trichloro-, 2-phenylethyl ester
Acetic acid, trichloro-, 2-phenylethyl ester
Database identifiers
- CAS
71965-07-6- PubChem CID
- 94874
- DTXSID
DTXSID70222252- EC Number
- 276-227-6
- Nikkaji
- J318.819A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- 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
- 207
Physicochemical properties
- Boiling point
- 312.1 · 312.1±37.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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