chempirical

4-Bromo-2,2-diphenylbutyronitrile

C16H14BrNCAS 39186-58-8300.20 g/mol

Open in Covalent MOL file
NBr
Alkyl halideNitrile

Properties

Molecular formula
C16H14BrN
Molar mass
300.20 g/mol
Exact mass
299.0310 Da
Melting point
66–67 °C
logP
4.28Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
39186-58-8
SMILES
N#CC(CCBr)(c1ccccc1)c1ccccc1
InChIKey
IGYSFJHVFHNOEI-UHFFFAOYSA-N
InChI
InChI=1S/C16H14BrN/c17-12-11-16(13-18,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-12H2

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetonitrile, α-(2-bromoethyl)-α-phenyl-
  • Butyronitrile, 4-bromo-2,2-diphenyl-
  • α-(2-Bromoethyl)-α-phenylbenzeneacetonitrile
  • 3-Cyano-3,3-diphenylpropyl bromide
  • 2,2-Diphenyl-4-bromobutyronitrile
  • NSC 80688
  • 1-Bromo-3,3-diphenyl-3-cyanopropane
  • 4-Bromo-2,2-diphenylbutanenitrile

Work with 4-Bromo-2,2-diphenylbutyronitrile

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

1-Phenylcyclopropanecarbonitrile935-44-450 % similar 1-Phenylcyclopentanecarbonitrile77-57-647 % similar α-(2-Bromoethyl)-α-phenylbenzeneacetic acid37742-98-643 % similar α-Methyl-α-phenylbenzeneacetonitrile5558-67-841 % similar 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-639 % similar 4-Cyano-4-phenylpiperidine hydrochloride51304-58-639 % similar Diphenoxylate915-30-039 % similar 2-Phenylethyl bromide103-63-937 % similar

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

Elsewhere

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