3-Bromo-5-fluorobenzonitrile

C₇H₃BrFNCAS 179898-34-1200.01 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

179898-34-1

SMILES

N#Cc1cc(F)cc(Br)c1

InChIKey

IADLVSLZPQYXIF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzonitrile, 3-bromo-5-fluoro-
3-Fluoro-5-bromobenzonitrile
3-Cyano-5-fluoro-1-bromo-benzene

Work with 3-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

3,5-Difluorobenzonitrile64248-63-168 % similar 1,3-Dibromo-5-fluorobenzene1435-51-456 % similar 1-Bromo-3,5-difluorobenzene461-96-156 % similar 3-Bromo-5-chlorobenzonitrile304854-55-555 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-650 % similar B-(3-Cyano-5-fluorophenyl)boronic acid304858-67-150 % similar 3-Fluorobenzonitrile403-54-350 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-448 % 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 2-Bromo-4-fluorobenzonitrile36282-26-5 2-Bromo-5-fluorobenzonitrile57381-39-2 3-Bromo-4-fluorobenzonitrile79630-23-2

Elsewhere

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