2-(Bromomethyl)-3-chlorobenzonitrile

C₈H₅BrClNCAS 77533-18-7230.49 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₈H₅BrClN
Molar mass: 230.49 g/mol
Exact mass: 228.9294 Da
logP: 3.11Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

77533-18-7

SMILES

N#Cc1cccc(Cl)c1CBr

InChIKey

ZZBRTAXRIKBTMY-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrClN/c9-4-7-6(5-11)2-1-3-8(7)10/h1-3H,4H2

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Names and synonyms

3 names

Benzonitrile, 2-(bromomethyl)-3-chloro-
2-Chloro-6-cyanobenzyl bromide
2-Bromomethyl-3-chlorobenzonitrile

Work with 2-(Bromomethyl)-3-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

2,6-Dichlorobenzyl bromide20443-98-561 % similar 2-Chlorobenzonitrile873-32-559 % similar 2-Cyanobenzyl bromide22115-41-953 % similar 2,3-Dichlorobenzonitrile6574-97-653 % similar 2-Amino-3-chlorobenzonitrile53312-77-950 % similar 3-Chloro-2-fluorobenzonitrile94087-40-850 % similar 2-Chlorobenzyl bromide611-17-647 % similar 2,6-Dichlorobenzeneacetonitrile3215-64-345 % similar

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

Same formula

5-Bromo-6-chloro-1H-indole122531-09-3

Elsewhere

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