1-Chloro-2-fluoro-3-iodobenzene

C6H3ClFICAS 72373-82-1256.44 g/mol

Open in Covalent MOL file
FClI
Aryl halide

Properties

Molecular formula
C6H3ClFI
Molar mass
256.44 g/mol
Exact mass
255.8952 Da
logP
3.08Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
72373-82-1
SMILES
Fc1c(Cl)cccc1I
InChIKey
MHRRZKUNYYQXTA-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFI/c7-4-2-1-3-5(9)6(4)8/h1-3H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1-chloro-2-fluoro-3-iodo-
  • 2-Chloro-6-iodofluorobenzene
  • 3-Chloro-2-fluoroiodobenzene

Work with 1-Chloro-2-fluoro-3-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

1,3-Dichloro-2-fluorobenzene2268-05-564 % similar 1-Chloro-2-iodobenzene615-41-858 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-256 % similar 1,2-Dichloro-3-iodobenzene2401-21-054 % similar 1-Bromo-3-chloro-2-fluorobenzene144584-65-652 % similar 3-Chloro-2-fluorobenzenamine2106-04-950 % similar 3-Chloro-2-fluorophenol2613-22-150 % similar 2-Chloro-6-iodotoluene42048-11-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-fluoro-1-iodobenzene101335-11-9 1-Chloro-3-fluoro-2-iodobenzene127654-70-0 2-Chloro-1-fluoro-4-iodobenzene156150-67-3 1-Chloro-2-fluoro-4-iodobenzene202982-67-0 1-Chloro-4-fluoro-2-iodobenzene202982-68-1 4-Chloro-2-fluoro-1-iodobenzene6797-79-1

Elsewhere

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