5-Bromo-2-chlorobenzonitrile

C₇H₃BrClNCAS 57381-44-9216.46 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃BrClN
Molar mass: 216.46 g/mol
Exact mass: 214.9137 Da
logP: 2.97Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

57381-44-9

SMILES

N#Cc1cc(Br)ccc1Cl

InChIKey

NKDMQBUJOXQVEA-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 5-bromo-2-chloro-
2-Chloro-5-bromobenzonitrile

Work with 5-Bromo-2-chlorobenzonitrile

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

2,5-Dichlorobenzonitrile21663-61-660 % similar 2-Chlorobenzonitrile873-32-557 % similar 5-Bromo-2-iodobenzonitrile121554-10-756 % similar 5-Bromo-2-methylbenzonitrile156001-51-356 % similar 5-Bromo-2-fluorobenzonitrile179897-89-356 % similar 2-Chloro-5-iodobenzonitrile289039-29-856 % similar 2-Amino-5-bromobenzonitrile39263-32-656 % similar 5-Bromo-2-hydroxybenzonitrile40530-18-556 % similar

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

Same formula

4-Bromo-2-chlorobenzonitrile154607-01-9 3-Bromo-5-chlorobenzonitrile304854-55-5 2-Bromo-4-chlorobenzonitrile57381-49-4

Elsewhere

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