chempirical

1,3-Dichloro-5-iodobenzene

C6H3Cl2ICAS 3032-81-3272.89 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
54 °C
logP
3.60Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
3032-81-3
SMILES
Clc1cc(Cl)cc(I)c1
InChIKey
AATPRMRVLQZEHB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2I/c7-4-1-5(8)3-6(9)2-4/h1-3H

Weigh it out

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Names and synonyms

6 names
  • Benzene, 1,3-dichloro-5-iodo-
  • 3,5-Dichlorophenyl iodide
  • 3,5-Dichloroiodobenzene
  • 1-Iodo-3,5-dichlorobenzene
  • NSC 80149
  • 3,5-Dichloro-1-iodobenzene

Work with 1,3-Dichloro-5-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-Bromo-3-chloro-5-iodobenzene13101-40-164 % similar 1,3,5-Trichlorobenzene108-70-360 % similar 1-Chloro-3-iodobenzene625-99-057 % similar 1-Chloro-4-iodobenzene637-87-650 % similar 1,3-Dichloro-5-fluorobenzene1435-46-743 % similar 3,5-Dichlorobenzenethiol17231-94-643 % similar Bromo-3,5-dichlorobenzene19752-55-743 % similar 3,5-Dichlorophenol591-35-543 % 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 1,2-Dichloro-3-iodobenzene2401-21-0 1,4-Dichloro-2-iodobenzene29682-41-5 2,4-Dichloro-1-iodobenzene29898-32-6

Elsewhere

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