chempirical

2-Iodo-1-methoxy-4-nitrobenzene

C7H6INO3CAS 5399-03-1279.03 g/mol

Open in Covalent MOL file
ON+OO−I
Aryl halideEtherNitro

Properties

Molecular formula
C7H6INO3
Molar mass
279.03 g/mol
Exact mass
278.9392 Da
Melting point
94 °C
logP
2.21Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
5399-03-1
SMILES
COc1ccc([N+](=O)[O-])cc1I
InChIKey
KBQBNJHOTNIGDD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6INO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 2-iodo-1-methoxy-4-nitro-
  • Anisole, 2-iodo-4-nitro-
  • 2-Iodo-4-nitroanisole
  • 1-Iodo-2-methoxy-5-nitrobenzene
  • NSC 3739
  • 3-Iodo-4-methoxy-1-nitrobenzene
  • 3-Iodo-4-(methoxy)nitrobenzene

Work with 2-Iodo-1-methoxy-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-Dimethoxy-4-nitrobenzene709-09-171 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-969 % similar 2,4-Dinitroanisole119-27-767 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-965 % similar 2-Methoxy-5-nitroaniline99-59-265 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-663 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-063 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-463 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook