2-Bromo-5-fluorobenzonitrile

C₇H₃BrFNCAS 57381-39-2200.01 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

57381-39-2

SMILES

N#Cc1cc(F)ccc1Br

InChIKey

MDHNVHCZDCSTMS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 2-bromo-5-fluoro-
1-Bromo-2-cyano-4-fluorobenzene

Work with 2-Bromo-5-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

4-Fluoro-1,2-benzenedicarbonitrile65610-14-264 % similar 2,5-Difluorobenzonitrile64248-64-260 % similar 2-Chloro-5-fluorobenzonitrile57381-56-356 % similar 2-Bromo-5-(trifluoromethyl)benzonitrile1483-55-256 % similar 2,4-Difluorobenzonitrile3939-09-155 % similar 2-Bromobenzonitrile2042-37-754 % similar 1,2-Dibromo-4-fluorobenzene2369-37-154 % similar 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-753 % similar

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

Same formula

4-Bromo-2-fluorobenzonitrile105942-08-3 4-Bromo-3-fluorobenzonitrile133059-44-6 5-Bromo-2-fluorobenzonitrile179897-89-3 3-Bromo-5-fluorobenzonitrile179898-34-1 2-Bromo-4-fluorobenzonitrile36282-26-5 3-Bromo-4-fluorobenzonitrile79630-23-2

Elsewhere

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