chempirical

4-Chloro-2-fluorobenzyl bromide

C7H5BrClFCAS 71916-82-0223.47 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
71916-82-0
SMILES
Fc1cc(Cl)ccc1CBr
InChIKey
UFCSSWZQROEFBZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrClF/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1-(bromomethyl)-4-chloro-2-fluoro-
  • 1-(Bromomethyl)-4-chloro-2-fluorobenzene
  • 4-(Bromomethyl)-1-chloro-3-fluorobenzene

Work with 4-Chloro-2-fluorobenzyl bromide

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

4-Chloro-2-fluorobenzenemethanol56456-49-661 % similar 2,4-Dichlorobenzyl bromide20443-99-660 % similar 2,4-Difluorobenzyl bromide23915-07-360 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-558 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-656 % similar 4-Chloro-2-fluorobenzeneacetonitrile75279-53-756 % similar 4-Chloro-1,2-difluorobenzene696-02-654 % similar 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-153 % 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 2-(Bromomethyl)-1-chloro-4-fluorobenzene81778-09-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook