chempirical

1-Iodo-2-nitrobenzene

C6H4INO2CAS 609-73-4249.01 g/mol

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

Properties

Molecular formula
C6H4INO2
Molar mass
249.01 g/mol
Exact mass
248.9287 Da
Melting point
54 °C
Boiling point
290 °C
logP
2.20Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
609-73-4
SMILES
O=[N+]([O-])c1ccccc1I
InChIKey
JXMZUNPWVXQADG-UHFFFAOYSA-N
InChI
InChI=1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • 2-Nitroiodobenzene
  • 2-Iodonitrobenzene
  • o-Nitroiodobenzene
  • o-Nitrophenyl iodide
  • 2-Nitrophenyl iodide
  • 1-Nitro-2-iodobenzene
  • Benzene, 1-iodo-2-nitro-
  • o-Iodonitrobenzene
  • NSC 9793
  • 2-Nitro-1-iodobenzene

Work with 1-Iodo-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dinitrobenzene528-29-067 % similar 2,2′-Dinitrobiphenyl2436-96-659 % similar 2-Nitrotoluene88-72-259 % similar 2,4-Dinitroiodobenzene709-49-958 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-256 % similar 1-Bromo-2-nitrobenzene577-19-555 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-855 % similar 1,5-Dinitronaphthalene605-71-054 % similar

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

Same formula

1-Iodo-4-nitrobenzene636-98-6 1-Iodo-3-nitrobenzene645-00-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook