chempirical

1,2-Dichloro-3-iodobenzene

C6H3Cl2ICAS 2401-21-0272.89 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
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
2401-21-0
SMILES
Clc1cccc(I)c1Cl
InChIKey
VGJKBWPZBVBXGI-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2I/c7-4-2-1-3-5(9)6(4)8/h1-3H

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Names and synonyms

5 names
  • Benzene, 1,2-dichloro-3-iodo-
  • 2,3-Dichlorophenyl iodide
  • 2,3-Dichloroiodobenzene
  • 2,3-Dichloriodobenzene
  • 1-Iodo-2,3-dichlorobenzene

Work with 1,2-Dichloro-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-Chloro-2-iodobenzene615-41-864 % similar 1,2,3-Trichlorobenzene87-61-660 % similar 1-Chloro-2-fluoro-3-iodobenzene72373-82-154 % similar 2,3-Dichlorotoluene32768-54-052 % similar 1-Bromo-2,3-dichlorobenzene56961-77-448 % similar 1,2,3,4-Tetrachlorobenzene634-66-248 % similar 2,3-Dichlorobenzenethiol17231-95-746 % similar 1,2-Dichloro-3-fluorobenzene36556-50-046 % 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-4-iodobenzene20555-91-3 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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