4-Bromo-2,6-difluorobenzonitrile

C₇H₂BrF₂NCAS 123843-67-4218.00 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₂BrF₂N
Molar mass: 218.00 g/mol
Exact mass: 216.9339 Da
logP: 2.60Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

123843-67-4

SMILES

N#Cc1c(F)cc(Br)cc1F

InChIKey

TZHQWUAOIWRFSW-UHFFFAOYSA-N

InChI

InChI=1S/C7H2BrF2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 4-bromo-2,6-difluoro-
2,6-Difluoro-4-bromobenzonitrile

Work with 4-Bromo-2,6-difluorobenzonitrile

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

2,6-Difluoro-4-hydroxybenzonitrile123843-57-257 % similar 4-Bromo-2-fluorobenzonitrile105942-08-357 % similar 5-Bromo-3-fluoro-2-pyridinecarbonitrile886373-28-053 % similar 2,6-Difluorobenzonitrile1897-52-552 % similar 2,6-Difluoro-4-methoxybenzonitrile123843-66-352 % similar 5-Bromo-2-fluorobenzonitrile179897-89-352 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-250 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-950 % similar

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

Same formula

4-Bromo-2,5-difluorobenzonitrile133541-45-4

Elsewhere

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