chempirical

4-Bromo-4'-methylbiphenyl

C13H11BrCAS 50670-49-0247.13 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C13H11Br
Molar mass
247.13 g/mol
Exact mass
246.0044 Da
logP
4.42Crippen 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
50670-49-0
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChIKey
MYWLXURJCXISCT-UHFFFAOYSA-N
InChI
InChI=1S/C13H11Br/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3

Weigh it out

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Work with 4-Bromo-4'-methylbiphenyl

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-Bromotoluene106-38-783 % similar 4,4''-Dibromo-P-terphenyl17788-94-267 % similar Di-p-tolyl613-33-267 % similar 4,4′-Dibromobiphenyl92-86-467 % similar 4-Bromo-4',4''-dimethyltriphenylamine58047-42-063 % similar 1,3,5-Tris(4-bromophenyl)benzene7511-49-157 % similar 4-Bromo-P-terphenyl1762-84-155 % similar 4-Methylbiphenyl644-08-655 % similar

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

Same formula

3-(Bromomethyl)biphenyl14704-31-5 1-Benzyl-4-bromobenzene2116-36-1 2-Bromodiphenylmethane23450-18-2 4-Bromomethylbiphenyl2567-29-5 Bromodiphenylmethane776-74-9

Elsewhere

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