1,2,3-Triiodo-5-nitrobenzene

C₆H₂I₃NO₂CAS 53663-23-3500.80 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂I₃NO₂
Molar mass: 500.80 g/mol
Exact mass: 500.7220 Da
logP: 3.41Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

53663-23-3

SMILES

C1=C(C=C(C(=C1I)I)I)[N+](=O)[O-]

InChIKey

FQHFOGCNEKGMQX-UHFFFAOYSA-N

InChI

InChI=1S/C6H2I3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

Weigh it out

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

Names and synonyms

3 names

3,4,5-Trijodnitrobenzol
1,2,3-Tri-iodo-5-nitrobenzene
1,2,3-Triiodo-5-nitro-benzene

Work with 1,2,3-Triiodo-5-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

2,6-Diiodo-4-nitrophenol305-85-166 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-856 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-552 % similar 2-Chloro-1-iodo-4-nitrobenzene41252-96-450 % similar 2-Iodo-1-methoxy-4-nitrobenzene5399-03-150 % similar 1-Bromo-3,5-dinitrobenzene18242-39-247 % similar 1,3-Difluoro-5-nitrobenzene2265-94-347 % similar 3,5-Dichloronitrobenzene618-62-247 % similar

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

Elsewhere

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