2-(Bromomethyl)-4-fluoro-1-methylbenzene

C₈H₈BrFCAS 261951-71-7203.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₈BrF
Molar mass: 203.05 g/mol
Exact mass: 201.9793 Da
logP: 3.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

261951-71-7

SMILES

Cc1ccc(F)cc1CBr

InChIKey

DRIYGEORZARQGO-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrF/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

3 names

Benzene, 2-(bromomethyl)-4-fluoro-1-methyl-
5-Fluoro-2-methylbenzyl bromide
2-Methyl-5-fluorobenzyl bromide

Work with 2-(Bromomethyl)-4-fluoro-1-methylbenzene

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

2,5-Difluorobenzyl bromide85117-99-360 % similar 1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-558 % similar 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-856 % similar 2,4-Difluorobenzyl bromide23915-07-355 % similar 4-Fluoro-1,2-dimethylbenzene452-64-254 % similar 2-Bromo-1-(bromomethyl)-4-fluorobenzene61150-57-053 % similar 2-Bromo-4-fluorotoluene1422-53-352 % similar 2,4-Difluoro-1-methylbenzene452-76-650 % similar

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

Same formula

3-Fluoro-4-methylbenzyl bromide145075-44-1 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-6 2-Fluoro-3-methylbenzyl bromide151412-12-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook