4-Bromo-4'-N-heptylbiphenyl

C₁₉H₂₃BrCAS 58573-93-6331.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₃Br
Molar mass: 331.30 g/mol
Exact mass: 330.0983 Da
logP: 6.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

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

58573-93-6

SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChIKey

RJQRJLCQHIMUQO-UHFFFAOYSA-N

InChI

InChI=1S/C19H23Br/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h8-15H,2-7H2,1H3

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Names and synonyms

1 names

4-Bromo-4'-heptylbiphenyl

Work with 4-Bromo-4'-N-heptylbiphenyl

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'-pentylbiphenyl63619-59-096 % similar 1-Bromo-4-dodecylbenzene126930-72-188 % similar 1-(4-Bromophenyl)hexane23703-22-288 % similar 1-(4-Bromophenyl)octane51554-93-988 % similar 1-Bromo-4-nonylbenzene51554-94-088 % similar 1-Bromo-4-N-heptylbenzene76287-49-588 % similar 1-Bromo-4-pentylbenzene51554-95-185 % similar 1-Bromo-4-butylbenzene41492-05-174 % similar

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

Elsewhere

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