Methyl 1-bromovinyl ketone

HCID 43582

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 61203-01-8
Standard SMILES: C=C(Br)C(C)=O
InChIKey: AGHIQBRPBAHPMV-UHFFFAOYSA-N
Molecular formula: C4H5BrO
Average molar mass: 148.99 g/mol
Monoisotopic mass: 147.95238

Names & identifiers

Preferred name: Methyl 1-bromovinyl ketone
IUPAC: 3-bromobut-3-en-2-one

Names & synonyms

3-Bromo-3-buten-2-one3-BUTEN-2-ONE, 3-BROMO-Methyl 1-bromovinyl ketoneRWQ9ND5KX8DTXSID00210122.ALPHA.-BROMOVINYL METHYL KETONEalpha-bromovinyl methyl ketoneRefChem:201677DTXCID001326133-bromobut-3-en-2-one61203-01-8Methyl-1-bromovinyl ketone

Show more names

CCRIS 1619BRN 1738108UNII-RWQ9ND5KX83-bromo-but-3-en-2-one4-01-00-03446 (Beilstein Handbook Reference)CHEMBL448583SCHEMBL2423495AGHIQBRPBAHPMV-UHFFFAOYSA-N

Database identifiers

CAS: 61203-01-8
PubChem CID: 43582
DTXSID: DTXSID00210122
ChEMBL: CHEMBL448583
UNII: RWQ9ND5KX8
Nikkaji: J646.970A

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 85.5

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…