chempirical

1-Bromo-4-pentylbenzene

C11H15BrCAS 51554-95-1227.14 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C11H15Br
Molar mass
227.14 g/mol
Exact mass
226.0357 Da
Density
1.2038 g/mL (at 20 °C)
Boiling point
109–110 °C (at 4 Torr)
logP
4.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
51554-95-1
SMILES
CCCCCc1ccc(Br)cc1
InChIKey
SGCJPYYTVBHQGE-UHFFFAOYSA-N
InChI
InChI=1S/C11H15Br/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-bromo-4-pentyl-
  • p-Pentylbromobenzene
  • 4-Pentylbromobenzene
  • p-Pentylphenyl bromide
  • 4-n-Pentylbromobenzene

Work with 1-Bromo-4-pentylbenzene

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-dodecylbenzene126930-72-196 % similar 1-Bromo-4-nonylbenzene51554-94-096 % similar 1-Bromo-4-butylbenzene41492-05-187 % similar 1-Bromo-4-propylbenzene588-93-271 % similar 4-Pentylphenol14938-35-363 % similar 1-Nonyl-4-phenol104-40-561 % similar 4-N-Octylphenol1806-26-461 % similar 4-N-Heptylphenol1987-50-461 % similar

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

Same formula

1-Bromo-5-phenylpentane14469-83-1 4-tert-Butylbenzyl bromide18880-00-7 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-2

Elsewhere

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