2-Bromo-4,6-difluoroiodobenzene

C₆H₂BrF₂ICAS 175278-11-2318.89 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₂BrF₂I
Molar mass: 318.89 g/mol
Exact mass: 317.8353 Da
logP: 3.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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

175278-11-2

SMILES

C1=C(C=C(C(=C1F)I)Br)F

InChIKey

KJJGFGWQNCPZBG-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrF2I/c7-4-1-3(8)2-5(9)6(4)10/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromo-4,6-difluoroiodobenzene

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

1,3-Dibromo-5-fluoro-2-iodobenzene62720-29-075 % similar 1-Bromo-5-chloro-3-fluoro-2-iodobenzene201849-16-360 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-957 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-557 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-357 % similar 2-Bromo-4,6-difluorobenzenamine444-14-453 % similar 2-Bromo-4,6-difluorophenol98130-56-453 % similar 1-Bromo-3-fluoro-2-iodobenzene450412-29-052 % similar

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

Same formula

2-Bromo-1,3-difluoro-5-iodobenzene155906-10-8 5-Bromo-1,3-difluoro-2-iodobenzene160976-02-3

Elsewhere

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