4-Bromo-4'-pentylbiphenyl

C₁₇H₁₉BrCAS 63619-59-0303.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₉Br
Molar mass: 303.24 g/mol
Exact mass: 302.0670 Da
logP: 5.85Crippen estimate
Polar surface area: 0.0 Å²
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. Search the SDS library

Identifiers

CAS number

63619-59-0

SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChIKey

VXJTWTJULLKDPY-UHFFFAOYSA-N

InChI

InChI=1S/C17H19Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h6-13H,2-5H2,1H3

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Names and synonyms

1 names

4-Bromo-4'-N-pentylbiphenyl

Work with 4-Bromo-4'-pentylbiphenyl

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

4-Bromo-4'-N-heptylbiphenyl58573-93-696 % similar 1-Bromo-4-pentylbenzene51554-95-188 % similar 1-Bromo-4-dodecylbenzene126930-72-185 % similar 1-(4-Bromophenyl)hexane23703-22-285 % similar 1-(4-Bromophenyl)octane51554-93-985 % similar 1-Bromo-4-nonylbenzene51554-94-085 % similar 1-Bromo-4-N-heptylbenzene76287-49-585 % similar 1-Bromo-4-butylbenzene41492-05-177 % similar

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

Elsewhere

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