chempirical

Bromocycloheptane

C7H13BrCAS 2404-35-5177.08 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C7H13Br
Molar mass
177.08 g/mol
Exact mass
176.0201 Da
Density
1.2599 g/mL (at 15.7 °C)
Boiling point
62.5 °C
logP
3.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
2404-35-5
SMILES
BrC1CCCCCC1
InChIKey
LOXORFRCPXUORP-UHFFFAOYSA-N
InChI
InChI=1S/C7H13Br/c8-7-5-3-1-2-4-6-7/h7H,1-6H2

Weigh it out

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

Names and synonyms

3 names
  • Cycloheptane, bromo-
  • Cycloheptyl bromide
  • NSC 9472

Work with Bromocycloheptane

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bromocyclohexane108-85-0100 % similar Bromocyclooctane1556-09-8100 % similar Bromocyclopentane137-43-992 % similar Bromocyclobutane4399-47-777 % similar trans-1,2-Dibromocyclohexane7429-37-044 % similar 3-Bromoheptane1974-05-641 % similar Bicyclohexyl92-51-340 % similar 4-Bromopiperidine hydrobromide54288-70-938 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook