1-Chloro-2-fluoro-3-iodobenzene

C₆H₃ClFICAS 72373-82-1256.44 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃ClFI
Molar mass: 256.44 g/mol
Exact mass: 255.8952 Da
logP: 3.08Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

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

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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 3-Chloro-2-fluorobenzenamine2106-04-950 % similar 3-Chloro-2-fluorobenzenemethanamine72235-55-345 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-045 % similar 3-Chloro-2-fluorobenzonitrile94087-40-845 % 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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