1-Fluoro-2-iodo-3-methylbenzene

C₇H₆FICAS 883502-14-5236.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆FI
Molar mass: 236.03 g/mol
Exact mass: 235.9498 Da
logP: 2.74Crippen 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

883502-14-5

SMILES

CC1=C(C(=CC=C1)F)I

InChIKey

WXHRYDHCFKJKKO-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

3-Fluoro-2-iodotoluene

Work with 1-Fluoro-2-iodo-3-methylbenzene

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 2-Iodo-1,3-dimethylbenzene608-28-664 % similar 2-Fluorotoluene95-52-358 % similar 1,2-Difluoro-3-methylbenzene3828-49-758 % similar 3-Fluoro-o-xylene443-82-358 % similar 1-Chloro-3-fluoro-2-iodobenzene127654-70-056 % similar 1-Bromo-3-fluoro-2-iodobenzene450412-29-056 % similar 2-Fluoro-6-methylaniline443-89-054 % similar

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

Same formula

4-Fluoro-2-iodo-1-methylbenzene13194-67-7 5-Fluoro-2-iodotoluene28490-56-4 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 4-Fluoro-1-iodo-2-methylbenzene66256-28-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook