4,4'-Dibromo-2,2'-diiodobiphenyl

C₁₂H₆Br₂I₂CAS 852138-89-7563.80 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₆Br₂I₂
Molar mass: 563.80 g/mol
Exact mass: 561.6926 Da
logP: 6.09Crippen 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

852138-89-7

SMILES

C1=CC(=C(C=C1Br)I)C2=C(C=C(C=C2)Br)I

InChIKey

JPXBIAWPJOGFCF-UHFFFAOYSA-N

InChI

InChI=1S/C12H6Br2I2/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H

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Names and synonyms

1 names

4,4'-Dibromo-2,2'-diiodo-1,1'-biphenyl

Work with 4,4'-Dibromo-2,2'-diiodobiphenyl

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

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

Elsewhere

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