5-Chloro-2-nitro-N-phenylbenzenamine

C₁₂H₉ClN₂O₂CAS 25781-92-4248.67 g/mol

Open in Covalent MOL file

Aryl halide Nitro Secondary amine

Properties

Molecular formula: C₁₂H₉ClN₂O₂
Molar mass: 248.67 g/mol
Exact mass: 248.0353 Da
logP: 3.99Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

25781-92-4

SMILES

O=[N+]([O-])c1ccc(Cl)cc1Nc1ccccc1

InChIKey

FPKHZBVGKMTUHB-UHFFFAOYSA-N

InChI

InChI=1S/C12H9ClN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 5-chloro-2-nitro-N-phenyl-
Diphenylamine, 5-chloro-2-nitro-
2-Nitro-5-chlorodiphenylamine
5-Chloro-2-nitrodiphenylamine
N-(5-Chloro-2-nitrophenyl)phenylamine

Work with 5-Chloro-2-nitro-N-phenylbenzenamine

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-Nitrodiphenylamine119-75-565 % similar 2,4-Dinitrodiphenylamine961-68-257 % similar 4-Chloro-1,2-dinitrobenzene610-40-257 % similar 5-Chloro-2-nitrobenzonitrile34662-31-255 % similar Hc red 12784-89-655 % similar 2,4-Dichloronitrobenzene611-06-354 % similar 2,4′-Dinitrodiphenylamine612-36-252 % similar 5-Chloro-2-nitroaniline1635-61-651 % similar

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

Same formula

N-(4-Chlorophenyl)-2-nitrobenzenamine23008-56-2

Elsewhere

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