Methyl 2,4-dichloro-3-oxobutyrate
Basic information
- CAS
4877-84-3- Standard SMILES
COC(=O)C(Cl)C(=O)CCl- InChIKey
UTBKSYHAYRTIIN-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2O3
- Average molar mass
- 185 g/mol
- Monoisotopic mass
- 183.9693994
Overview
See also: Butanoic acid, 2,4-dichloro-3-oxo-, methyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 2,4-dichloro-3-oxobutyrate
- IUPAC
- methyl 2,4-dichloro-3-oxobutanoate
- English name
- methyl 2,4-dichloro-3-oxobutyrate
- Molecular formula
- C5H6Cl2O3
- Molecular weight
- 185.00534
Names & synonyms
Methyl 2,4-dichloro-3-oxobutyrate4877-84-3methyl 2,4-dichloro-3-oxobutanoateEINECS 225-488-4SCHEMBL19995249DTXSID20964115UTBKSYHAYRTIIN-UHFFFAOYSA-NNS000452292,4-Dichloro-3-oxobutyric acid methyl esterButanoic acid, 2,4-dichloro-3-oxo-, methyl ester
Database identifiers
- CAS
4877-84-3- PubChem CID
- 107345
- DTXSID
DTXSID20964115- EC Number
- 225-488-4
- Nikkaji
- J24.757J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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