chempirical

4-Chloro-3-nitroaniline

C6H5ClN2O2CAS 635-22-3172.57 g/mol

Open in Covalent MOL file
H2NClN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
Melting point
103 °C
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
635-22-3
SMILES
Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIKey
FOHHWGVAOVDVLP-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

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Names and synonyms

8 names
  • Benzenamine, 4-chloro-3-nitro-
  • Aniline, 4-chloro-3-nitro-
  • 4-Chloro-3-nitrobenzenamine
  • 3-Nitro-4-chloroaniline
  • 4-Amino-2-nitrochlorobenzene
  • NSC 37397
  • (4-Chloro-3-nitrophenyl)amine
  • 2-Nitro-4-aminochlorobenzene

Work with 4-Chloro-3-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

3,4-Dinitroaniline610-41-368 % similar Nitro-P-phenylenediamine5307-14-264 % similar 1,4-Dichloro-2-nitrobenzene89-61-264 % similar 2,4-Dinitrochlorobenzene97-00-764 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-562 % similar 4-Methyl-3-nitroaniline119-32-460 % similar 4-Amino-2-nitrophenol119-34-660 % similar 4-Bromo-1-chloro-2-nitrobenzene16588-24-260 % 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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