Basic information
- CAS
85153-48-6- Standard SMILES
CC(C)(C)OC(=O)C(Cl)C(=O)CCl- InChIKey
UHHZHVDHAQZWES-UHFFFAOYSA-N- Molecular formula
- C8H12Cl2O3
- Average molar mass
- 227.08 g/mol
- Monoisotopic mass
- 226.0163496
Overview
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Names & identifiers
- Preferred name
- tert-Butyl 2,4-dichloro-3-oxobutyrate
- IUPAC
- tert-butyl 2,4-dichloro-3-oxobutanoate
- English name
- tert-butyl 2,4-dichloro-3-oxobutyrate
- Molecular formula
- C8H12Cl2O3
- Molecular weight
- 227.09
Names & synonyms
tert-Butyl 2,4-dichloro-3-oxobutyrate85153-48-6EINECS 285-829-8tert-butyl 2,4-dichloro-3-oxobutanoateUHHZHVDHAQZWES-UHFFFAOYSA-NDTXSID501005583NS000650963-Oxo-2,4-dichlorobutyric acid tert-butyl ester2,4-Dichloro-3-oxobutanoic acid 1,1-dimethylethyl esterButanoic acid, 2,4-dichloro-3-oxo-, 1,1-dimethylethyl ester
Database identifiers
- CAS
85153-48-6- PubChem CID
- 3020437
- DTXSID
DTXSID501005583- EC Number
- 285-829-8
- Nikkaji
- J309.836B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
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Compound notes
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