2-Bromo-4-fluoro-1-iodobenzene

C₆H₃BrFICAS 202865-73-4300.90 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

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 1-Bromo-2,5-difluorobenzene399-94-056 % 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 2-Bromo-4-fluoroaniline1003-98-152 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-952 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook