1-Bromo-3-fluoro-2-iodobenzene

C6H3BrFICAS 450412-29-0300.90 g/mol

Open in Covalent MOL file
BrIF
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 2 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
450412-29-0
SMILES
C1=CC(=C(C(=C1)Br)I)F
InChIKey
FXEGEEUPPGLIIC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFI/c7-4-2-1-3-5(8)6(4)9/h1-3H

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Names and synonyms

1 names
  • 2-Iodo-3-bromofluorobenzene

Work with 1-Bromo-3-fluoro-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

1,3-Difluoro-2-iodobenzene13697-89-768 % similar 1,3-Dibromo-2-iodobenzene19821-80-864 % similar 1-Chloro-3-fluoro-2-iodobenzene127654-70-056 % similar 1-Fluoro-2-iodo-3-methylbenzene883502-14-556 % similar 1-Bromo-2-fluorobenzene1072-85-154 % similar 1-Bromo-2,3-difluorobenzene38573-88-554 % similar 1,2-Dibromo-3-fluoro-benzene811711-33-854 % similar 1-Bromo-5-chloro-3-fluoro-2-iodobenzene201849-16-353 % 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 2-Bromo-4-fluoro-1-iodobenzene202865-73-4 3-Fluoro-5-iodo bromobenzene845866-85-5

Elsewhere

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