chempirical

1,3-Dichloro-2-iodobenzene

C6H3Cl2ICAS 19230-28-5272.89 g/mol

Open in Covalent MOL file
ClClI
Aryl halide

Properties

Molecular formula
C6H3Cl2I
Molar mass
272.89 g/mol
Exact mass
271.8657 Da
Melting point
68 °C
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
19230-28-5
SMILES
Clc1cccc(Cl)c1I
InChIKey
ZMPGXSFTXBOKFM-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2I/c7-4-2-1-3-5(8)6(4)9/h1-3H

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Names and synonyms

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

Work with 1,3-Dichloro-2-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-3-fluoro-2-iodobenzene127654-70-064 % similar 3-Chloro-2-iodoaniline70237-25-164 % similar 1,2-Dichlorobenzene95-50-153 % similar 1-Chloro-2-iodobenzene615-41-852 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-848 % similar 1,2,3-Trichlorobenzene87-61-647 % similar 1-Chloro-2-fluoro-3-iodobenzene72373-82-144 % similar 2,6-Dichlorotoluene118-69-443 % similar

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

Same formula

1,2-Dichloro-4-iodobenzene20555-91-3 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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