1-Bromo-3-methylbutan-2-one

C₅H₉BrOCAS 19967-55-6165.03 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₅H₉BrO
Molar mass: 165.03 g/mol
Exact mass: 163.9837 Da
logP: 1.61Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

19967-55-6

SMILES

CC(C)C(=O)CBr

InChIKey

NNTPEAXKKUPBHQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H9BrO/c1-4(2)5(7)3-6/h4H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1-Bromo-3-methyl-2-butanone
1-Bromo-3-methyl-butan-2-one
2-Butanone, 1-bromo-3-methyl-
Isopropyl bromomethyl ketone
2-Bromo-1-isopropylethanone
1-Bromo-3methylbutan-2-one

Work with 1-Bromo-3-methylbutan-2-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dimethyl-3,5-heptanedione18362-64-657 % similar Ethyl isopropyl ketone565-69-552 % similar 2-Methyl-3-hexanone7379-12-648 % similar 2-Methyl-3-heptanone13019-20-044 % similar Methyl 4-methyl-3-oxopentanoate42558-54-341 % similar 3-Methyl-1-phenyl-2-butanone2893-05-240 % similar Isopropyl bromoacetate29921-57-139 % similar Diisopropyl ketone565-80-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Bromomethyl)tetrahydrofuran1192-30-9 3-(Bromomethyl)tetrahydrofuran165253-29-2 3-(Bromomethyl)-3-methyloxetane78385-26-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook