chempirical

5-Fluoro-2-iodotoluene

C7H6FICAS 28490-56-4236.03 g/mol

Open in Covalent MOL file
FI
Aryl halide

Properties

Molecular formula
C7H6FI
Molar mass
236.03 g/mol
Exact mass
235.9498 Da
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
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
28490-56-4
SMILES
CC1=C(C=CC(=C1)F)I
InChIKey
VWBMDRDQJLUMMS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names
  • 4-Fluoro-1-iodo-2-methylbenzene

Work with 5-Fluoro-2-iodotoluene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Fluoro-1-iodo-2-methylbenzene66256-28-8

Similar compounds

4-Fluoro-1,2-dimethylbenzene452-64-263 % similar 2,4-Difluoro-1-iodobenzene2265-93-258 % similar 1,4-Difluoro-2-methylbenzene452-67-558 % similar 1-Iodo-2,4-dimethylbenzene4214-28-254 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-954 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-454 % similar 5-Fluoro-2-iodoaniline255724-71-154 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-154 % similar

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

Same formula

4-Fluoro-2-iodo-1-methylbenzene13194-67-7 2-Fluoro-4-iodo-1-methylbenzene39998-81-7 1-Fluoro-3-iodo-2-methylbenzene443-85-6 1-Fluoro-4-iodo-2-methylbenzene452-68-6 2-Fluoro-1-iodo-4-methylbenzene452-79-9 1-Fluoro-2-iodo-4-methylbenzene452-82-4 1-Fluoro-2-iodo-3-methylbenzene883502-14-5

Elsewhere

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