4-Bromo-4'-(tert-butyl)biphenyl

C₁₆H₁₇BrCAS 162258-89-1289.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₇Br
Molar mass: 289.22 g/mol
Exact mass: 288.0514 Da
logP: 5.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

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

162258-89-1

SMILES

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

InChIKey

QYNWFBYWVPMMRL-UHFFFAOYSA-N

InChI

InChI=1S/C16H17Br/c1-16(2,3)14-8-4-12(5-9-14)13-6-10-15(17)11-7-13/h4-11H,1-3H3

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Names and synonyms

1 names

4-Bromo-4'-tert-butylbiphenyl

Work with 4-Bromo-4'-(tert-butyl)biphenyl

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-tert-butylbenzene3972-65-486 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-871 % similar 4-tert-Butylbiphenyl1625-92-960 % similar 1,4-Di-tert-butylbenzene1012-72-257 % similar 4,4''-Dibromo-P-terphenyl17788-94-257 % similar 4,4′-Dibromobiphenyl92-86-457 % similar 2-Bromo-4,4'-di-tert-butylbiphenyl70728-89-152 % similar 1-Bromo-4-(1,1-difluoroethyl)benzene1000994-95-550 % similar

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

Elsewhere

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