1-Iodo-3,5-dinitrobenzene

C₆H₃IN₂O₄CAS 6276-04-6294.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃IN₂O₄
Molar mass: 294.00 g/mol
Exact mass: 293.9138 Da
logP: 2.11Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6276-04-6

SMILES

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

InChIKey

AISNAASNOWRWIR-UHFFFAOYSA-N

InChI

InChI=1S/C6H3IN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H

Weigh it out

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

Work with 1-Iodo-3,5-dinitrobenzene

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-Fluoro-3-iodo-5-nitrobenzene3819-88-371 % similar 1,3,5-Trinitrobenzene99-35-471 % similar 1-Iodo-3-nitrobenzene645-00-164 % similar 1-Iodo-4-nitrobenzene636-98-662 % similar 1,2,3-Triiodo-5-nitrobenzene53663-23-357 % similar 1-Bromo-3,5-dinitrobenzene18242-39-256 % similar 3,5-Dinitroaniline618-87-156 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-955 % similar

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

Same formula

2,4-Dinitroiodobenzene709-49-9

Elsewhere

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