chempirical

3-Iodo-4-fluorobromobenzene

C6H3BrFICAS 116272-41-4300.90 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

Identifiers

CAS number
116272-41-4
SMILES
C1=CC(=C(C=C1Br)I)F
InChIKey
JNETZJWWXCLUKM-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrFI/c7-4-1-2-5(8)6(9)3-4/h1-3H

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Names and synonyms

1 names
  • 4-Bromo-1-fluoro-2-iodobenzene

Work with 3-Iodo-4-fluorobromobenzene

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-Bromo-3,4-difluorobenzene348-61-860 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-457 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 5-Bromo-2-fluorophenol112204-58-752 % similar 5-Bromo-2-fluorobenzenamine2924-09-652 % similar 1-Fluoro-2-iodo-4-methylbenzene452-82-452 % similar 4-Bromo-2-fluorotoluene51436-99-852 % similar 4-Bromo-2-chloro-1-fluorobenzene60811-21-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-2-fluoro-1-iodobenzene105931-73-5 1-Bromo-2-fluoro-4-iodobenzene136434-77-0 2-Bromo-4-fluoro-1-iodobenzene202865-73-4

Elsewhere

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