chempirical

4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene

C8H5BrClF3OCAS 261763-18-2289.48 g/mol

Open in Covalent MOL file
FFFOBrCl
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H5BrClF3O
Molar mass
289.48 g/mol
Exact mass
287.9164 Da
logP
4.13Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
261763-18-2
SMILES
FC(F)(F)Oc1ccc(CBr)cc1Cl
InChIKey
YTXRMMJPEBWDPE-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)-
  • 4-Bromomethyl-2-chloro-1-trifluoromethoxybenzene
  • 3-Chloro-4-trifluoromethoxybenzyl bromide

Work with 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene

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

3,4-Dichlorobenzyl bromide18880-04-153 % similar 4-Trifluoromethoxybenzyl bromide50824-05-053 % similar 3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-851 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-347 % similar 4-(Bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene261951-89-744 % similar 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline123637-51-443 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-240 % similar 3-(Trifluoromethyl)benzyl bromide402-23-340 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook