4-Iodo-2-nitrobenzenamine

C₆H₅IN₂O₂CAS 20691-72-9264.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₅IN₂O₂
Molar mass: 264.02 g/mol
Exact mass: 263.9396 Da
Melting point: 121–122 °C
logP: 1.78Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

20691-72-9

SMILES

Nc1ccc(I)cc1[N+](=O)[O-]

InChIKey

QVCRSYXVWPPBFJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 4-iodo-2-nitro-
Aniline, 4-iodo-2-nitro-
4-Iodo-2-nitroaniline
2-Nitro-4-iodoaniline

Work with 4-Iodo-2-nitrobenzenamine

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

Nitro-P-phenylenediamine5307-14-264 % similar 2,4-Dinitroaniline97-02-964 % similar 4-Fluoro-2-nitroaniline364-78-362 % similar 4-Iodo-2-nitrotoluene41252-97-562 % similar 1-Fluoro-4-iodo-2-nitrobenzene364-75-060 % similar 4-Amino-3-nitrophenol610-81-160 % similar 4-Bromo-2-nitroaniline875-51-460 % similar 4-Methyl-2-nitroaniline89-62-360 % similar

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

Elsewhere

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