chempirical

2-Chloro-1-iodo-4-nitrobenzene

C6H3ClINO2CAS 41252-96-4283.45 g/mol

Open in Covalent MOL file
ON+O−ICl
Aryl halideNitro

Properties

Molecular formula
C6H3ClINO2
Molar mass
283.45 g/mol
Exact mass
282.8897 Da
Melting point
103 °C
logP
2.85Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
41252-96-4
SMILES
O=[N+]([O-])c1ccc(I)c(Cl)c1
InChIKey
FQXFHRSYMORXKN-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

Weigh it out

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Names and synonyms

5 names
  • Benzene, 2-chloro-1-iodo-4-nitro-
  • 3-Chloro-4-iodonitrobenzene
  • NSC 83313
  • 1-Chloro-2-iodo-5-nitrobenzene
  • 2-Chloro-4-nitrophenyl iodide

Work with 2-Chloro-1-iodo-4-nitrobenzene

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

1,2-Dichloro-4-nitrobenzene99-54-768 % similar 2-Chloro-4-nitrotoluene121-86-865 % similar 2,4-Dinitroiodobenzene709-49-964 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-562 % similar 2-Chloro-4-nitroaniline121-87-960 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-960 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-160 % similar 3-Chloro-4-fluoronitrobenzene350-30-160 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook