1-(4-Bromophenyl)hexane

C₁₂H₁₇BrCAS 23703-22-2241.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇Br
Molar mass: 241.17 g/mol
Exact mass: 240.0514 Da
logP: 4.57Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

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

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-Bromo-4-nonylbenzene51554-94-0100 % 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

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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