2-Bromo-4-fluoro-1-iodobenzene

C6H3BrFICAS 202865-73-4300.90 g/mol

Open in Covalent MOL file
FIBr
Aryl halide

Properties

Molecular formula
C6H3BrFI
Molar mass
300.90 g/mol
Exact mass
299.8447 Da
logP
3.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
202865-73-4
SMILES
Fc1ccc(I)c(Br)c1
InChIKey
GKGPZAZTXZCUMU-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFI/c7-5-3-4(8)1-2-6(5)9/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 2-bromo-4-fluoro-1-iodo-
  • 2-Bromo-4-fluoroiodobenzene
  • 1-Bromo-5-fluoro-2-iodobenzene
  • 3-Bromo-4-iodo-1-fluorobenzene

Work with 2-Bromo-4-fluoro-1-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

1,2-Dibromo-4-fluorobenzene2369-37-160 % similar 2-Bromo-4-fluorotoluene1422-53-357 % similar 2,4-Difluoro-1-iodobenzene2265-93-256 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 5-Fluoro-2-iodotoluene28490-56-454 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-854 % similar 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-953 % similar 1,3-Dibromo-5-fluoro-2-iodobenzene62720-29-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluoro-1-iodobenzene105931-73-5 3-Iodo-4-fluorobromobenzene116272-41-4 1-Bromo-2-fluoro-4-iodobenzene136434-77-0 1-Bromo-4-fluoro-2-iodobenzene202865-72-3 1-Bromo-3-fluoro-2-iodobenzene450412-29-0 3-Fluoro-5-iodo bromobenzene845866-85-5

Elsewhere

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