1-Bromo-3-fluoro-2-iodobenzene

C₆H₃BrFICAS 450412-29-0300.90 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrFI
Molar mass: 300.90 g/mol
Exact mass: 299.8447 Da
logP: 3.19Crippen 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

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

Weigh it out

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

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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