chempirical

1,2-Dichloro-4-iodobenzene

C6H3Cl2ICAS 20555-91-3272.89 g/mol

Open in Covalent MOL file
ClICl
Aryl halide

Properties

Molecular formula
C6H3Cl2I
Molar mass
272.89 g/mol
Exact mass
271.8657 Da
Melting point
30.5 °C
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
20555-91-3
SMILES
Clc1ccc(I)cc1Cl
InChIKey
NADPFZNWCQIJJW-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 1,2-dichloro-4-iodo-
  • 3,4-Dichloroiodobenzene
  • 3,4-Dichlorophenyl iodide
  • 3,4-Dichloro-1-iodobenzene
  • 4-Iodo-1,2-dichlorobenzene
  • 1-Iodo-3,4-dichlorobenzene

Work with 1,2-Dichloro-4-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-Chloro-4-iodo-2-methylbenzene116632-41-863 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-463 % similar 2-Chloro-1-fluoro-4-iodobenzene156150-67-360 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-060 % similar 2-Chloro-4-iodobenzenamine42016-93-360 % similar 2-Chloro-5-iodobenzonitrile289039-29-854 % similar 2-Chloro-5-iodobenzoic acid19094-56-548 % similar 1,2,4-Trichlorobenzene120-82-148 % similar

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

Same formula

1,3-Dichloro-2-iodobenzene19230-28-5 1,2-Dichloro-3-iodobenzene2401-21-0 1,4-Dichloro-2-iodobenzene29682-41-5 2,4-Dichloro-1-iodobenzene29898-32-6 1,3-Dichloro-5-iodobenzene3032-81-3

Elsewhere

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