chempirical

2-Bromo-4,4'-di-tert-butylbiphenyl

C20H25BrCAS 70728-89-1345.32 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C20H25Br
Molar mass
345.32 g/mol
Exact mass
344.1140 Da
logP
6.71Crippen estimate
Polar surface area
0.0 Ų
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
70728-89-1
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(C=C(C=C2)C(C)(C)C)Br
InChIKey
OPPSYCGZHQVDPM-UHFFFAOYSA-N
InChI
InChI=1S/C20H25Br/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3

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Names and synonyms

1 names
  • 2-Bromo-4,4'-di-tert-butyl-1,1'-biphenyl

Work with 2-Bromo-4,4'-di-tert-butylbiphenyl

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

2-Bromo-4-(tert-butyl)aniline103273-01-455 % similar 2-Bromo-4-tert-butylphenol2198-66-555 % similar 2-Bromo-4-tert-butyl-1-iodo-benzene860435-39-855 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-852 % similar 4-Bromo-4'-(tert-butyl)biphenyl162258-89-152 % similar 1-Bromo-4-tert-butylbenzene3972-65-447 % similar 1,4-Di-tert-butylbenzene1012-72-246 % similar 2-Bromo-5-(1,1-dimethylethyl)benzaldehyde875664-28-146 % similar

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

Elsewhere

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