1-Bromo-4-dodecylbenzene

C18H29BrCAS 126930-72-1325.33 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C18H29Br
Molar mass
325.33 g/mol
Exact mass
324.1453 Da
logP
6.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

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
126930-72-1
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)Br
InChIKey
RFFMRBISTZHCNY-UHFFFAOYSA-N
InChI
InChI=1S/C18H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12H2,1H3

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Work with 1-Bromo-4-dodecylbenzene

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-(4-Bromophenyl)hexane23703-22-2100 % 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

Elsewhere

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