chempirical

(2-Bromophenyl)acetonitrile

C8H6BrNCAS 19472-74-3196.05 g/mol

Open in Covalent MOL file
NBr
HalogenNitrile

Properties

Molecular formula
C8H6BrN
Molar mass
196.05 g/mol
Exact mass
194.9684 Da
Melting point
1 °C
Boiling point
145–147 °C (at 13 Torr)
logP
2.52Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
19472-74-3
SMILES
N#CCc1ccccc1Br
InChIKey
BVCOJESIQPNOIF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

Weigh it out

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Names and synonyms

11 names
  • Benzeneacetonitrile, 2-bromo-
  • Acetonitrile, (o-bromophenyl)-
  • 2-Bromobenzeneacetonitrile
  • (o-Bromophenyl)acetonitrile
  • o-Bromobenzyl cyanide
  • 2-Bromobenzyl cyanide
  • 1-Bromo-2-cyanomethylbenzene
  • NSC 338412
  • 2-Cyanomethylbromobenzene
  • 2-(o-Bromophenyl)acetonitrile
  • 2-(2-Bromophenyl)acetonitrile

Work with (2-Bromophenyl)acetonitrile

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 5-Bromo-2-methylbenzonitrile156001-51-3 (4-Bromophenyl)acetonitrile16532-79-9 4-Cyanobenzyl bromide17201-43-3 2-Cyanobenzyl bromide22115-41-9 3-Cyanobenzyl bromide28188-41-2 (3-Bromophenyl)acetonitrile31938-07-5 6-Bromoindole52415-29-9

Elsewhere

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