chempirical

3-Chloro-2-nitrobenzenamine

C6H5ClN2O2CAS 59483-54-4172.57 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
108–109 °C
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
59483-54-4
SMILES
Nc1cccc(Cl)c1[N+](=O)[O-]
InChIKey
YADOEPHJIBKBCN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H,8H2

Weigh it out

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Names and synonyms

4 names
  • Benzenamine, 3-chloro-2-nitro-
  • 3-Chloro-2-nitroaniline
  • 2-Nitro-3-chloroaniline
  • (3-Chloro-2-nitrophenyl)amine

Work with 3-Chloro-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

3-Fluoro-2-nitrobenzenamine567-63-562 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-059 % similar 1-Chloro-3-fluoro-2-nitrobenzene64182-61-259 % similar 2-Chloro-6-nitrobenzenamine769-11-959 % similar 2-Chloro-5-nitroaniline6283-25-657 % similar 3-Nitro-1,2-phenylenediamine3694-52-856 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-156 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-254 % 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

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