chempirical

2-(Bromomethyl)-1-chloro-4-fluorobenzene

C7H5BrClFCAS 81778-09-8223.47 g/mol

Open in Covalent MOL file
FClBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H5BrClF
Molar mass
223.47 g/mol
Exact mass
221.9247 Da
logP
3.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
81778-09-8
SMILES
Fc1ccc(Cl)c(CBr)c1
InChIKey
AUVLFQDKJFSFIX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClF/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 2-(bromomethyl)-1-chloro-4-fluoro-
  • α-Bromo-2-chloro-5-fluorotoluene
  • 2-Chloro-5-fluorobenzyl bromide
  • 1-Chloro-2-(bromomethyl)-4-fluorobenzene

Work with 2-(Bromomethyl)-1-chloro-4-fluorobenzene

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-Chloro-5-fluorobenzenemethanamine202522-23-461 % similar 2-Chloro-5-fluorobenzenemethanol261762-59-861 % similar 2,5-Difluorobenzyl bromide85117-99-360 % similar 1-Bromo-2-(bromomethyl)-4-fluorobenzene112399-50-558 % similar 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-756 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-256 % similar 2-Chlorobenzyl bromide611-17-655 % similar 2,4-Difluorobenzyl bromide23915-07-355 % similar

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

Same formula

1-Bromo-2-chloro-5-fluoro-4-methylbenzene201849-17-4 1-Bromo-2-chloro-4-fluoro-5-methylbenzene201849-18-5 1-Bromo-2-chloro-4-fluoro-3-methylbenzene203302-92-5 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-3 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-8 4-Chloro-2-fluorobenzyl bromide71916-82-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook