Propane-1,2-diyl bis(trichloroacetate)
Basic information
- CAS
3172-07-4- Standard SMILES
CC(COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl- InChIKey
WTHPIPMJBLGHHQ-UHFFFAOYSA-N- Molecular formula
- C7H6Cl6O4
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 363.839725
Names & identifiers
- Preferred name
- Propane-1,2-diyl bis(trichloroacetate)
- IUPAC
- 2-(2,2,2-trichloroacetyl)oxypropyl 2,2,2-trichloroacetate
Names & synonyms
propane-1,2-diyl bis(trichloroacetate)3172-07-4DTXSID50288351RefChem:374310DTXCID40239498NSC55373NCIOpen2_007649NSC-55373
Database identifiers
- CAS
3172-07-4- PubChem CID
- 244459
- DTXSID
DTXSID50288351
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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