chempirical

4,5-Dichloro-2-nitrobenzenamine

C6H4Cl2N2O2CAS 6641-64-1207.01 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
164–166 °C
logP
2.48Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
6641-64-1
SMILES
Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIKey
FSGTULQLEVAYRS-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2

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Names and synonyms

7 names
  • Benzenamine, 4,5-dichloro-2-nitro-
  • Aniline, 4,5-dichloro-2-nitro-
  • 4,5-Dichloro-2-nitroaniline
  • 2-Nitro-4,5-dichloroaniline
  • 3,4-Dichloro-6-nitroaniline
  • 1-Amino-4,5-dichloro-2-nitrobenzene
  • NSC 17012

Work with 4,5-Dichloro-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

2-Chloro-5-nitro-1,4-benzenediamine26196-45-283 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-673 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-673 % similar 2,4,5-Trichloronitrobenzene89-69-066 % similar 5-Chloro-2-methyl-4-nitrobenzenamine13852-51-263 % similar 2-Amino-4-chloro-5-nitrophenol6358-07-263 % similar 5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine914637-23-362 % similar 5-Chloro-2-nitroaniline1635-61-659 % similar

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

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-9 2,5-Dichloro-4-nitrobenzenamine6627-34-5 2,6-Dichloro-4-nitroaniline99-30-9

Elsewhere

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