1-Fluoro-2-iodo-3-methylbenzene

C7H6FICAS 883502-14-5236.03 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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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

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