chempirical

1-Bromo-4-nonylbenzene

C15H23BrCAS 51554-94-0283.25 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C15H23Br
Molar mass
283.25 g/mol
Exact mass
282.0983 Da
Boiling point
107 °C (at 0.2 Torr)
logP
5.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
8

Identifiers

CAS number
51554-94-0
SMILES
CCCCCCCCCc1ccc(Br)cc1
InChIKey
LVCWOFRWEVUMNY-UHFFFAOYSA-N
InChI
InChI=1S/C15H23Br/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13H,2-9H2,1H3

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

Names and synonyms

3 names
  • Benzene, 1-bromo-4-nonyl-
  • 4-Bromophenylnonane
  • 4-n-Nonylbromobenzene

Work with 1-Bromo-4-nonylbenzene

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-Bromo-4-dodecylbenzene126930-72-1100 % similar 1-Bromo-4-pentylbenzene51554-95-196 % similar 1-Bromo-4-butylbenzene41492-05-183 % similar 1-Bromo-4-propylbenzene588-93-268 % similar 1-Nonyl-4-phenol104-40-564 % similar 4-N-Octylphenol1806-26-464 % similar 4-N-Heptylphenol1987-50-464 % similar Decylbenzene104-72-362 % similar

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

Elsewhere

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