5-Bromo-2-methylbenzonitrile

C₈H₆BrNCAS 156001-51-3196.05 g/mol

Open in Covalent MOL file

Halogen Nitrile

Properties

Molecular formula: C₈H₆BrN
Molar mass: 196.05 g/mol
Exact mass: 194.9684 Da
Melting point: 50 °C
logP: 2.63Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

156001-51-3

SMILES

Cc1ccc(Br)cc1C#N

InChIKey

WNVUTFDOGUGEIS-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names

Benzonitrile, 5-bromo-2-methyl-
3-Bromo-6-methylbenzonitrile

Work with 5-Bromo-2-methylbenzonitrile

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

Same formula

5-Bromoindole10075-50-0 (4-Bromophenyl)acetonitrile16532-79-9 4-Cyanobenzyl bromide17201-43-3 (2-Bromophenyl)acetonitrile19472-74-3 2-Cyanobenzyl bromide22115-41-9 3-Cyanobenzyl bromide28188-41-2 (3-Bromophenyl)acetonitrile31938-07-5 6-Bromoindole52415-29-9

Elsewhere

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