chempirical

3-Bromo-2-methylpropan-1-ol

C4H9BrOCAS 40145-08-2153.02 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl halide

Properties

Molecular formula
C4H9BrO
Molar mass
153.02 g/mol
Exact mass
151.9837 Da
logP
1.01Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
40145-08-2
SMILES
CC(CO)CBr
InChIKey
KIBOHRIGZMLNNS-UHFFFAOYSA-N
InChI
InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3

Weigh it out

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

Work with 3-Bromo-2-methylpropan-1-ol

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-Methyl-1,3-propanediol2163-42-061 % similar 1-Bromo-2-methylbutane10422-35-250 % similar 2-Methyl-1-butanol137-32-650 % similar (S)-2-Methyl-1-butanol1565-80-650 % similar 2-Methyl-1-butanol34713-94-550 % similar (2S)-1-Bromo-2-methylbutane534-00-950 % similar (2R)-2-Methyl-1,4-butanediol22644-28-648 % similar 1-Bromo-3-chloro-2-methylpropane6974-77-248 % similar

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

Same formula

4-Bromo-1-butanol33036-62-3 1-Bromo-3-methoxypropane36865-41-5 2-Bromoethyl ethyl ether592-55-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook