chempirical

2,4-Dichloro-6-nitroaniline

C6H4Cl2N2O2CAS 2683-43-4207.01 g/mol

Open in Covalent MOL file
NH2ClClN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H4Cl2N2O2
Molar mass
207.01 g/mol
Exact mass
205.9650 Da
Melting point
102 °C
logP
2.48Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
2683-43-4
SMILES
Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
InChIKey
IZEZAMILKKYOPW-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2

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Names and synonyms

8 names
  • Benzenamine, 2,4-dichloro-6-nitro-
  • Aniline, 2,4-dichloro-6-nitro-
  • 2,4-Dichloro-6-nitrobenzenamine
  • 4,6-Dichloro-2-nitroaniline
  • 2-Nitro-4,6-dichloroaniline
  • NSC 28582
  • 1-Nitro-2-amine-3,5-dichlorobenzene
  • 2,4-Dichloro-6-nitro-phenylamine

Work with 2,4-Dichloro-6-nitroaniline

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

6-Chloro-2,4-dinitroaniline3531-19-971 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-867 % similar 2-Chloro-6-nitrobenzenamine769-11-965 % similar 2,4-Dichloro-6-nitrophenol609-89-261 % similar 2,4,6-Trichloronitrobenzene18708-70-858 % similar 2,4-Dichloronitrobenzene611-06-357 % similar 1,4-Dichloro-2-nitrobenzene89-61-257 % similar 4-Chloro-2-nitroaniline89-63-454 % similar

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

Same formula

Aminopyralid150114-71-9 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-9 2,5-Dichloro-4-nitrobenzenamine6627-34-5 4,5-Dichloro-2-nitrobenzenamine6641-64-1 2,6-Dichloro-4-nitroaniline99-30-9

Elsewhere

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