Basic information
- CAS
83005-00-9- Standard SMILES
CCCCCCCCCCOC(=O)C(Cl)Cl- InChIKey
ZMLAQDPXQKQOGC-UHFFFAOYSA-N- Molecular formula
- C12H22Cl2O2
- Average molar mass
- 269.2 g/mol
- Monoisotopic mass
- 268.0996853
Names & identifiers
- Preferred name
- Decyl dichloroacetate
- IUPAC
- decyl 2,2-dichloroacetate
Names & synonyms
Decyl dichloroacetate83005-00-9Dichloroacetic acid, decyl esterDTXSID20335068RefChem:336773DTXCID70286157ZMLAQDPXQKQOGC-UHFFFAOYSA-NDecyl dichloroacetate #DICHLOROACETIC ACID,DECYL ESTER
Database identifiers
- CAS
83005-00-9- PubChem CID
- 522796
- DTXSID
DTXSID20335068- Nikkaji
- J2.350.254B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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