1-(4-Bromophenyl)hexane

C12H17BrCAS 23703-22-2241.17 g/mol

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Br
Aryl halide

Properties

Molecular formula
C12H17Br
Molar mass
241.17 g/mol
Exact mass
240.0514 Da
logP
4.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
23703-22-2
SMILES
CCCCCCC1=CC=C(C=C1)Br
InChIKey
MXHOLIARBWJKCR-UHFFFAOYSA-N
InChI
InChI=1S/C12H17Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6H2,1H3

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Names and synonyms

1 names
  • 1-Bromo-4-hexylbenzene

Work with 1-(4-Bromophenyl)hexane

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-(4-Bromophenyl)octane51554-93-9100 % similar 1-Bromo-4-nonylbenzene51554-94-0100 % similar 1-Bromo-4-N-heptylbenzene76287-49-5100 % similar 1-Bromo-4-pentylbenzene51554-95-196 % similar 4-Bromo-4'-N-heptylbiphenyl58573-93-688 % similar 4-Bromo-4'-pentylbiphenyl63619-59-085 % similar 1-Bromo-4-butylbenzene41492-05-183 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-6-phenylhexane27976-27-8

Elsewhere

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