Basic information
- CAS
83004-99-3- Standard SMILES
CCCCCCCCCOC(=O)C(Cl)Cl- InChIKey
XKMMRMJBZDCIHI-UHFFFAOYSA-N- Molecular formula
- C11H20Cl2O2
- Average molar mass
- 255.18 g/mol
- Monoisotopic mass
- 254.0840353
Names & identifiers
- Preferred name
- Nonyl dichloroacetate
- IUPAC
- nonyl 2,2-dichloroacetate
Names & synonyms
Nonyl dichloroacetateDichloroacetic acid, nonyl ester83004-99-3DTXSID60335067RefChem:365894DTXCID10286156XKMMRMJBZDCIHI-UHFFFAOYSA-NNonyl dichloroacetate #
Database identifiers
- CAS
83004-99-3- PubChem CID
- 522795
- DTXSID
DTXSID60335067
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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