2-Bromo-4,6-difluoroiodobenzene

C6H2BrF2ICAS 175278-11-2318.89 g/mol

Open in Covalent MOL file
FIBrF
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 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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