4-Bromo-1-iodo-2-nitrobenzene

C₆H₃BrINO₂CAS 112671-42-8327.90 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃BrINO₂
Molar mass: 327.90 g/mol
Exact mass: 326.8392 Da
logP: 2.96Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

112671-42-8

SMILES

C1=CC(=C(C=C1Br)[N+](=O)[O-])I

InChIKey

XLUAZLDTZYHVSO-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

Weigh it out

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

Work with 4-Bromo-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-1,2-dinitrobenzene610-38-868 % similar 4-Bromo-1-methyl-2-nitrobenzene60956-26-565 % similar 2,5-Dibromonitrobenzene3460-18-264 % similar 2,4-Dinitroiodobenzene709-49-964 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-262 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-260 % similar 4-Bromo-2-nitrophenol7693-52-960 % similar 4-Bromo-2-nitroaniline875-51-460 % similar

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

Elsewhere

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