2-Bromo-4-chlorobenzonitrile

C₇H₃BrClNCAS 57381-49-4216.46 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

57381-49-4

SMILES

N#Cc1ccc(Cl)cc1Br

InChIKey

PEAQTMSQUXACRN-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzonitrile, 2-bromo-4-chloro-

Work with 2-Bromo-4-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

2,4-Dichlorobenzonitrile6574-98-760 % similar 2-Bromo-4-fluorobenzonitrile36282-26-556 % similar 2-Amino-4-chlorobenzonitrile38487-86-456 % similar 4-Chloro-2-methylbenzonitrile50712-68-056 % similar 4-Chloro-2-fluorobenzonitrile57381-51-856 % similar 2,5-Dichlorobenzonitrile21663-61-655 % similar 2-Bromobenzonitrile2042-37-754 % similar 5-Chloro-2-fluorobenzonitrile57381-34-752 % 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 5-Bromo-2-chlorobenzonitrile57381-44-9

Elsewhere

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