3-Bromo-5-chlorobenzonitrile

C₇H₃BrClNCAS 304854-55-5216.46 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

304854-55-5

SMILES

N#Cc1cc(Cl)cc(Br)c1

InChIKey

DRKWKPSNVQVDKZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClN/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

2 names

Benzonitrile, 3-bromo-5-chloro-
3-Cyano-5-chlorobromobenzene

Work with 3-Bromo-5-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

3,5-Dichlorobenzonitrile6575-00-468 % similar Bromo-3,5-dichlorobenzene19752-55-756 % similar 3-Bromo-5-fluorobenzonitrile179898-34-155 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-655 % similar 3-Bromobenzonitrile6952-59-653 % similar 3-Chlorobenzonitrile766-84-750 % similar 1-Bromo-3-chloro-5-iodobenzene13101-40-145 % similar 3-Bromo-5-chlorophenol56962-04-045 % similar

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

Same formula

4-Bromo-2-chlorobenzonitrile154607-01-9 5-Bromo-2-chlorobenzonitrile57381-44-9 2-Bromo-4-chlorobenzonitrile57381-49-4

Elsewhere

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