chempirical

2-Chloro-5-nitroaniline

C6H5ClN2O2CAS 6283-25-6172.57 g/mol

Open in Covalent MOL file
NH2N+OO−Cl
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
Melting point
121 °C
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
6283-25-6
SMILES
Nc1cc([N+](=O)[O-])ccc1Cl
InChIKey
KWIXNFOTNVKIGM-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2

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Names and synonyms

8 names
  • Benzenamine, 2-chloro-5-nitro-
  • Aniline, 2-chloro-5-nitro-
  • 2-Chloro-5-nitrobenzenamine
  • 6-Chloro-3-nitroaniline
  • 5-Nitro-2-chloroaniline
  • NSC 7791
  • 2-Chloro-5-nitrophenylamine
  • 1-Amino-2-chloro-5-nitrobenzene

Work with 2-Chloro-5-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

1,2-Dichloro-4-nitrobenzene99-54-768 % similar 2-Chloro-5-nitrophenol619-10-365 % similar 2,4-Dinitrochlorobenzene97-00-764 % similar 2-Bromo-5-nitroaniline10403-47-160 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-960 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-460 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-260 % similar 2-Fluoro-5-nitrobenzenamine369-36-860 % 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 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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