2,4,5-Trichlorophenyl hexanoate
Basic information
- CAS
16508-93-3- Standard SMILES
CCCCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl- InChIKey
BLCJVOCWIVMUCP-UHFFFAOYSA-N- Molecular formula
- C12H13Cl3O2
- Average molar mass
- 295.6 g/mol
- Monoisotopic mass
- 293.998113
Names & identifiers
- Preferred name
- 2,4,5-Trichlorophenyl hexanoate
- IUPAC
- (2,4,5-trichlorophenyl) hexanoate
Names & synonyms
2,4,5-trichlorophenyl hexanoate16508-93-3(2,4,5-trichlorophenyl) hexanoate2,4,5-TRICHLOROPHENYL CAPROATEHexanoic acid, 2,4,5-trichlorophenyl ester89N6WPX7GFDTXSID60274841
Database identifiers
- CAS
16508-93-3- PubChem CID
- 27897
- DTXSID
DTXSID60274841- UNII
- 89N6WPX7GF
- Nikkaji
- J1.958.500J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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