chempirical

5-Chloro-2-nitroaniline

C6H5ClN2O2CAS 1635-61-6172.57 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
127.8 °C
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
1635-61-6
SMILES
Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIKey
ZCWXYZBQDNFULS-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2

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

Names and synonyms

12 names
  • Benzenamine, 5-chloro-2-nitro-
  • Aniline, 5-chloro-2-nitro-
  • 5-Chloro-2-nitrobenzenamine
  • 3-Chloro-6-nitroaniline
  • 2-Amino-4-chloro-1-nitrobenzene
  • 2-Nitro-5-chloroaniline
  • 2-Amino-4-chloronitrobenzene
  • 3-Amino-4-nitrochlorobenzene
  • 5-Chloro-2-nitrophenylamine
  • NSC 400866
  • 1-Nitro-2-amino-4-chlorobenzene
  • 5-Chlor-2-nitroanilin

Work with 5-Chloro-2-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

4-Chloro-2-nitroaniline89-63-475 % similar 4-Chloro-1,2-dinitrobenzene610-40-268 % similar 4-Nitro-M-phenylenediamine5131-58-864 % similar 2,4-Dichloronitrobenzene611-06-364 % similar 5-Fluoro-2-nitrobenzenamine2369-11-160 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-260 % similar 5-Methyl-2-nitroaniline578-46-160 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-860 % 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 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9 2-Chloro-4-methyl-3-nitropyridine23056-39-5

Elsewhere

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