chempirical

(4-Bromophenyl)acetonitrile

C8H6BrNCAS 16532-79-9196.05 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
50 °C
Boiling point
142 °C (at 5 Torr)
logP
2.52Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
16532-79-9
SMILES
N#CCc1ccc(Br)cc1
InChIKey
MFHFWRBXPQDZSA-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

Weigh it out

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

Names and synonyms

12 names
  • Benzeneacetonitrile, 4-bromo-
  • Acetonitrile, (p-bromophenyl)-
  • 4-Bromobenzeneacetonitrile
  • (p-Bromophenyl)acetonitrile
  • 4-Bromobenzyl cyanide
  • 2-(4-Bromophenyl)acetonitrile
  • p-Bromobenzyl cyanide
  • 4-(Cyanomethyl)bromobenzene
  • 1-Bromo-4-cyanomethylbenzene
  • NSC 84174
  • 4-Bromobenzyl nitrile
  • 4-(Cyanomethyl)-1-bromobenzene

Work with (4-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-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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