Basic information
- CAS
36597-90-7- Standard SMILES
CCCC(=O)OC(Cl)C(Cl)(Cl)Cl- InChIKey
VRVMSNCOWHFEBP-UHFFFAOYSA-N- Molecular formula
- C6H8Cl4O2
- Average molar mass
- 253.9 g/mol
- Monoisotopic mass
- 251.92784
Names & identifiers
- Preferred name
- Butyric acid, 1,2,2,2-tetrachloroethyl ester
- IUPAC
- 1,2,2,2-tetrachloroethyl butanoate
Names & synonyms
36597-90-7BUTYRIC ACID, 1,2,2,2-TETRACHLOROETHYL ESTERRefChem:1080445Tetrachloroethyl butyrate1,2,2,2-tetrachloroethyl butanoateBRN 1776167TetrachloraethylbutyratTetrachloraethylbutyrat [German]Butanoic acid, 1,2,2,2-tetrachloroethyl esterButanoic acid, 1,1,2,2-tetrachloroethyl ester3-02-00-00612 (Beilstein Handbook Reference)SCHEMBL28673926
Show more names
DTXSID00957868
Database identifiers
- CAS
36597-90-7- PubChem CID
- 37488
- DTXSID
DTXSID00957868
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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