chempirical

4-Bromo-2-fluorobenzonitrile

C7H3BrFNCAS 105942-08-3200.01 g/mol

Open in Covalent MOL file
NBrF
Aryl halideNitrile

Properties

Molecular formula
C7H3BrFN
Molar mass
200.01 g/mol
Exact mass
198.9433 Da
Melting point
71–73 °C
logP
2.46Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
105942-08-3
SMILES
N#Cc1ccc(Br)cc1F
InChIKey
HGXWRDPQFZKOLZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzonitrile, 4-bromo-2-fluoro-
  • 2-Fluoro-4-bromobenzonitrile
  • 4-Cyano-3-fluoro-1-bromobenzene
  • 4-Bromo-6-fluorobenzonitrile
  • 4-Bromo-2-fluorobenzenitrile
  • 4-Bromo-2-fluorobenzonitril

Work with 4-Bromo-2-fluorobenzonitrile

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-Fluoro-4-hydroxybenzonitrile82380-18-563 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 2,4-Difluorobenzonitrile3939-09-160 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-457 % similar 2-Fluoro-4-iodobenzonitrile137553-42-556 % similar 4-Bromo-2-chlorobenzonitrile154607-01-956 % similar 4-Amino-2-fluorobenzonitrile53312-80-456 % similar 4-Chloro-2-fluorobenzonitrile57381-51-856 % similar

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

Same formula

4-Bromo-3-fluorobenzonitrile133059-44-6 5-Bromo-2-fluorobenzonitrile179897-89-3 3-Bromo-5-fluorobenzonitrile179898-34-1 2-Bromo-4-fluorobenzonitrile36282-26-5 2-Bromo-5-fluorobenzonitrile57381-39-2 3-Bromo-4-fluorobenzonitrile79630-23-2

Elsewhere

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