5-Bromo-1,3-difluoro-2-iodobenzene

C6H2BrF2ICAS 160976-02-3318.89 g/mol

Open in Covalent MOL file
FIFBr
Aryl halide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
160976-02-3
SMILES
C1=C(C=C(C(=C1F)I)F)Br
InChIKey
NLWAKVGODLJALJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF2I/c7-3-1-4(8)6(10)5(9)2-3/h1-2H

Weigh it out

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Names and synonyms

1 names
  • 4-Bromo-2,6-difluoroiodobenzene

Work with 5-Bromo-1,3-difluoro-2-iodobenzene

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

1,4-Dibromo-3,5-difluorobenzene128259-71-257 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-957 % similar 4-Bromo-2,6-difluorophenol104197-13-952 % similar 3,5-Difluoro-4-iodoaniline1542-34-352 % similar 5-Bromo-2-chloro-1,3-difluorobenzene176673-72-652 % similar 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-452 % similar 4-Bromo-2,6-difluoroaniline67567-26-452 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1,3-difluoro-5-iodobenzene155906-10-8 2-Bromo-4,6-difluoroiodobenzene175278-11-2

Elsewhere

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