chempirical

4-(Bromomethyl)-2′-cyanobiphenyl

C14H10BrNCAS 114772-54-2272.14 g/mol

Open in Covalent MOL file
NBr
Alkyl halideNitrile

Properties

Molecular formula
C14H10BrN
Molar mass
272.14 g/mol
Exact mass
270.9997 Da
Melting point
120–122 °C
logP
4.12Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
114772-54-2
SMILES
N#Cc1ccccc1-c1ccc(CBr)cc1
InChIKey
LFFIEVAMVPCZNA-UHFFFAOYSA-N
InChI
InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2

Weigh it out

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

Names and synonyms

12 names
  • [1,1′-Biphenyl]-2-carbonitrile, 4′-(bromomethyl)-
  • 4′-(Bromomethyl)[1,1′-biphenyl]-2-carbonitrile
  • 4′-(Bromomethyl)-2-cyanobiphenyl
  • 2-Cyano-4′-(bromomethyl)biphenyl
  • 4-(2-Cyanophenyl)benzyl bromide
  • 4′-Bromomethylbiphenyl-2-carbonitrile
  • 2-(4-Bromomethylphenyl)benzonitrile
  • 2′-(Cyano)biphenyl-4-ylmethyl bromide
  • 4-Bromomethyl-2′-cyano-1,1′-biphenyl
  • 2′-Cyano-4-(bromomethyl)-1,1′-biphenyl
  • 2-(4′-Bromomethylphenyl)benzonitrile
  • 4′-Bromomethyl-2-cyano-1,1′-biphenyl

Work with 4-(Bromomethyl)-2′-cyanobiphenyl

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-Cyano-4′-methylbiphenyl114772-53-156 % similar 4-Cyanobenzyl bromide17201-43-353 % similar 2-Cyanobenzyl bromide22115-41-952 % similar 2-(Bromomethyl)-3-chlorobenzonitrile77533-18-745 % similar Benzyl bromide100-39-043 % similar 3-Cyanobenzyl bromide28188-41-243 % similar Methyl 4′-(bromomethyl)biphenyl-2-carboxylate114772-38-243 % similar 1,4-Bis(bromomethyl)benzene623-24-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-Bromomethylacridine1556-34-9

Elsewhere

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