2,2,2-Trichloroethyl hexanoate
Basic information
- CAS
57392-47-9- Standard SMILES
CCCCCC(=O)OCC(Cl)(Cl)Cl- InChIKey
WGQPNMRSQVQUSL-UHFFFAOYSA-N- Molecular formula
- C8H13Cl3O2
- Average molar mass
- 247.5 g/mol
- Monoisotopic mass
- 245.998113
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethyl hexanoate
- IUPAC
- 2,2,2-trichloroethyl hexanoate
Names & synonyms
2,2,2-Trichloroethyl hexanoate57392-47-9DTXSID60291270RefChem:242440DTXCID70242415WGQPNMRSQVQUSL-UHFFFAOYSA-NHexanoic acid,2,2,2-trichloroethyl esterNSC74628SCHEMBL4908232NSC-74628DS-002623Hexanoic acid, 2,2,2-trichloroethyl ester
Database identifiers
- CAS
57392-47-9- PubChem CID
- 252560
- DTXSID
DTXSID60291270
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
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Compound notes
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