4-Bromo-3-fluorobenzonitrile

C₇H₃BrFNCAS 133059-44-6200.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃BrFN
Molar mass: 200.01 g/mol
Exact mass: 198.9433 Da
logP: 2.46Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

133059-44-6

SMILES

N#Cc1ccc(Br)c(F)c1

InChIKey

QBKXYSXQKRNVRQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 4-bromo-3-fluoro-
3-Fluoro-4-bromobenzonitrile

Work with 4-Bromo-3-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

3,4-Difluorobenzonitrile64248-62-064 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 4-Amino-3-fluorobenzonitrile63069-50-156 % similar 2-Fluoro-4-cyanobenzyl bromide105942-09-456 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 3-Chloro-4-fluorobenzonitrile117482-84-552 % similar

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

Same formula

4-Bromo-2-fluorobenzonitrile105942-08-3 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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