3-Bromo-4-chlorobenzonitrile

C₇H₃BrClNCAS 948549-53-9216.46 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

948549-53-9

SMILES

C1=CC(=C(C=C1C#N)Br)Cl

InChIKey

GTTSCQCUEKBTNZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

3,4-Dichlorobenzonitrile6574-99-864 % similar 4-Chloro-3-fluorobenzonitrile110888-15-856 % similar 3-Chloro-4-hydroxybenzonitrile2315-81-356 % similar 3-Bromo-4-hydroxybenzonitrile2315-86-856 % similar 3-Bromo-4-methylbenzonitrile42872-74-256 % similar 4-Amino-3-bromobenzonitrile50397-74-556 % similar 3-Amino-4-chlorobenzonitrile53312-79-156 % similar 3-Bromo-4-fluorobenzonitrile79630-23-256 % 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 2-Bromo-4-chlorobenzonitrile57381-49-4

Elsewhere

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