2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene

C₈H₅BrF₃ICAS 702641-06-3364.93 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₅BrF₃I
Molar mass: 364.93 g/mol
Exact mass: 363.8571 Da
logP: 4.20Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

702641-06-3

SMILES

FC(F)(F)c1ccc(I)c(CBr)c1

InChIKey

YEVQZPWSVWZAOB-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF3I/c9-4-5-3-6(8(10,11)12)1-2-7(5)13/h1-3H,4H2

Weigh it out

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

Names and synonyms

3 names

Benzene, 2-(bromomethyl)-1-iodo-4-(trifluoromethyl)-
5-(Trifluoromethyl)-2-iodobenzyl bromide
2-Iodo-5-trifluoromethylbenzyl bromide

Work with 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)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

2-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-464 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-062 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-260 % similar 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-157 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-651 % similar 4-(Trifluoromethyl)benzyl bromide402-49-348 % similar 3-(Trifluoromethyl)benzyl bromide402-23-347 % similar 4-Chloro-3-iodobenzotrifluoride672-57-147 % similar

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

Elsewhere

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