2-Methoxy-5-nitroaniline hydrochloride

C7H9ClN2O3CAS 67827-72-9204.61 g/mol

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ON+OO−H2NHCl
EtherNitroPrimary amine

Properties

Molecular formula
C7H9ClN2O3
Molar mass
204.61 g/mol
Exact mass
204.0302 Da
logP
1.61Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
67827-72-9
SMILES
COc1ccc([N+](=O)[O-])cc1N.Cl
InChIKey
JBBNYKPRONOPHN-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3.ClH/c1-12-7-3-2-5(9(10)11)4-6(7)8;/h2-4H,8H2,1H3;1H

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Names and synonyms

3 names
  • Benzenamine, 2-methoxy-5-nitro-, hydrochloride (1:1)
  • Benzenamine, 2-methoxy-5-nitro-, monohydrochloride
  • o-Anisidine, 5-nitro-, hydrochloride

Work with 2-Methoxy-5-nitroaniline hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methoxy-5-nitroaniline99-59-2Free base

Similar compounds

1,2-Dimethoxy-4-nitrobenzene709-09-171 % similar 2-Methoxy-4-nitroaniline97-52-970 % similar 5-Nitroguaiacol636-93-164 % similar 2,4-Dinitroanisole119-27-763 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-962 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-660 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-060 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-2 4-Ethyl-2,3-dioxopiperazinecarbonyl chloride59703-00-3 4-Ethoxy-3-nitropyridine hydrochloride94602-04-7

Elsewhere

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