chempirical

7-Bromoheptanenitrile

C7H12BrNCAS 20965-27-9190.08 g/mol

Open in Covalent MOL file
NBr
Alkyl halideNitrile

Properties

Molecular formula
C7H12BrN
Molar mass
190.08 g/mol
Exact mass
189.0153 Da
Boiling point
140–141 °C (at 14 Torr)
logP
2.86Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
20965-27-9
SMILES
N#CCCCCCCBr
InChIKey
HVVQSKCGHAPHMV-UHFFFAOYSA-N
InChI
InChI=1S/C7H12BrN/c8-6-4-2-1-3-5-7-9/h1-6H2

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

Names and synonyms

4 names
  • Heptanenitrile, 7-bromo-
  • 6-Cyanohexyl bromide
  • 7-Bromoheptanonitrile
  • NSC 60131

Work with 7-Bromoheptanenitrile

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

6-Bromohexanenitrile6621-59-6100 % similar 5-Bromovaleronitrile5414-21-194 % similar 4-Bromobutyronitrile5332-06-979 % similar Dodecanedinitrile4543-66-267 % similar Octanedinitrile629-40-367 % similar Pimelonitrile646-20-867 % similar Adiponitrile111-69-361 % similar 3-Bromopropionitrile2417-90-560 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook