Basic information
- CAS
4189-10-0- Standard SMILES
CCC(CC)C(=O)OCC(Cl)(Cl)Cl- InChIKey
AFGFYWOVFUGCLA-UHFFFAOYSA-N- Molecular formula
- C8H13Cl3O2
- Average molar mass
- 247.5 g/mol
- Monoisotopic mass
- 245.998113
Names & identifiers
- Preferred name
- Butyric acid, 2-ethyl-, 2,2,2-trichloroethyl ester
- IUPAC
- 2,2,2-trichloroethyl 2-ethylbutanoate
- English name
- 2-Ethylbutanoic acid 2,2,2-trichloroethyl ester
- Molecular formula
- C8H13Cl3O2
- Molecular weight
- 0
Names & synonyms
Trichloroethyl 2-ethylbutyrate2-Ethylbutyric acid, ester with trichloroethanolBRN 2087075BUTYRIC ACID, 2-ETHYL-, 2,2,2-TRICHLOROETHYL ESTER4189-10-0DTXSID70194662RefChem:331268DTXCID101171532,2,2-trichloroethyl 2-ethylbutanoateReaxys ID: 20870752-Ethylbutanoic acid 2,2,2-trichloroethyl ester
Database identifiers
- CAS
4189-10-0- PubChem CID
- 20156
- DTXSID
DTXSID70194662- Nikkaji
- J42.961I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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