3-Bromo-3′-chloro-1,1′-biphenyl

C12H8BrClCAS 844856-42-4267.55 g/mol

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ClBr
Aryl halide

Properties

Molecular formula
C12H8BrCl
Molar mass
267.55 g/mol
Exact mass
265.9498 Da
logP
4.77Crippen 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.

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Identifiers

CAS number
844856-42-4
SMILES
Clc1cccc(-c2cccc(Br)c2)c1
InChIKey
XDPLWYUXKVCBFV-UHFFFAOYSA-N
InChI
InChI=1S/C12H8BrCl/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

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Names and synonyms

4 names
  • 1,1′-Biphenyl, 3-bromo-3′-chloro-
  • 1-Bromo-3-(3-chlorophenyl)benzene
  • 3-Bromo-3′-chlorobiphenyl
  • 3-Bromo-3'-chlorobiphenyl

Work with 3-Bromo-3′-chloro-1,1′-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-3-chlorobenzene108-37-274 % similar 3,3''-Dibromo-1,1':3',1''-terphenyl95962-62-270 % similar 1,3,5-Tris(3-bromophenyl)benzene96761-85-267 % similar 3-Bromobiphenyl2113-57-764 % similar 1-Bromo-3-(4-phenylphenyl)benzene1762-87-462 % similar 3-Chlorobiphenyl2051-61-860 % similar 2-(3-Bromophenyl)triphenylene1313514-53-253 % similar 2-(3-Bromophenyl)naphthalene667940-23-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4'-chloro-1,1'-biphenyl164334-69-4 2-Bromo-4'-chloro-1,1'-biphenyl179526-95-5

Elsewhere

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