Sec-butyl dichloroacetate
Basic information
- CAS
62223-12-5- Standard SMILES
CCC(C)OC(=O)C(Cl)Cl- InChIKey
IQYVZHJFEAIITM-UHFFFAOYSA-N- Molecular formula
- C6H10Cl2O2
- Average molar mass
- 185.05 g/mol
- Monoisotopic mass
- 184.0057849
Names & identifiers
- Preferred name
- Sec-butyl dichloroacetate
- IUPAC
- butan-2-yl 2,2-dichloroacetate
- English name
- Acetic acid, 2,2-dichloro-, 1-methylpropyl ester
- Molecular formula
- C6H10Cl2O2
- Molecular weight
- 185.05
Names & synonyms
Sec-butyl dichloroacetate62223-12-5Dichloroacetic acid, 2-butyl esterDTXSID30287802Acetic acid, dichloro, 1-methylpropyl esterRefChem:380042DTXCID20238949IQYVZHJFEAIITM-UHFFFAOYSA-Nbutan-2-yl 2,2-dichloroacetateNSC52565Butan-2-yl dichloroacetateSec-butyl dichloroacetate #
Show more names
Acetic acid, 2,2-dichloro-, 1-methylpropyl ester
SCHEMBL16375095NSC-52565DS-002557
Database identifiers
- CAS
62223-12-5- PubChem CID
- 243222
- DTXSID
DTXSID30287802
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 189 · 189.0±20.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
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Compound notes
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