1-Chlorobutane-2,3-dione 2-oxime

HCID 6400533

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Basic information

CAS: 14366-10-0
Standard SMILES: CC(=NO)C(=O)CCl
InChIKey: PHVXNVOGALDGBW-UHFFFAOYSA-N
Molecular formula: C4H6ClNO2
Average molar mass: 135.55 g/mol
Monoisotopic mass: 135.0087061

Names & identifiers

Preferred name: 1-Chlorobutane-2,3-dione 2-oxime
IUPAC: 1-chloro-3-hydroxyiminobutan-2-one

Names & synonyms

1-Chlorobutane-2,3-dione 3-oxime2840-11-1SCHEMBL114525341-Chlorobutane-2,3-dione 2-oximeEINECS 238-337-22-Butanone, 1-chloro-3-hydroxyimino-NS00048655

Database identifiers

CAS: 14366-10-0、2840-11-1
PubChem CID: 6400533
DTXSID: DTXSID30931979
EC Number: 220-632-2

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 49.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 121

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