Methyl 10,12,12,12-tetrachlorododecanoate
Basic information
- CAS
13038-11-4- Standard SMILES
COC(=O)CCCCCCCCC(Cl)CC(Cl)(Cl)Cl- InChIKey
ZMPQATHGYNANJN-UHFFFAOYSA-N- Molecular formula
- C13H22Cl4O2
- Average molar mass
- 352.1 g/mol
- Monoisotopic mass
- 350.037391
Names & identifiers
- Preferred name
- Methyl 10,12,12,12-tetrachlorododecanoate
- IUPAC
- methyl 10,12,12,12-tetrachlorododecanoate
Names & synonyms
methyl 10,12,12,12-tetrachlorododecanoate13038-11-4DTXSID90404179STK041574AKOS005383623
Database identifiers
- CAS
13038-11-4- PubChem CID
- 4552091
- DTXSID
DTXSID90404179
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
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Compound notes
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