chempirical

2-Chloro-6-nitrobenzenamine

C6H5ClN2O2CAS 769-11-9172.57 g/mol

Open in Covalent MOL file
NH2ClN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
Melting point
74–75 °C
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
769-11-9
SMILES
Nc1c(Cl)cccc1[N+](=O)[O-]
InChIKey
VOTXWUCYIOPNNR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenamine, 2-chloro-6-nitro-
  • Aniline, 2-chloro-6-nitro-
  • 2-Chloro-6-nitroaniline
  • 6-Chloro-2-nitroaniline
  • NSC 37398
  • 2-Chloro-6-nitro-phenylamine

Work with 2-Chloro-6-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

2,6-Dinitroaniline606-22-475 % similar 2-Nitrochlorobenzene88-73-367 % similar 3-Nitro-1,2-phenylenediamine3694-52-866 % similar 2,4-Dichloro-6-nitroaniline2683-43-465 % similar 6-Chloro-2,4-dinitroaniline3531-19-965 % similar 2-Bromo-6-nitrobenzenamine59255-95-764 % similar 2,3-Dichloronitrobenzene3209-22-163 % similar 2-Fluoro-6-nitrobenzenamine17809-36-862 % similar

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

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook