chempirical

3-Chloro-4-nitroaniline

C6H5ClN2O2CAS 825-41-2172.57 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
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
825-41-2
SMILES
C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]
InChIKey
LDSIOPGMLLPSSR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2

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Work with 3-Chloro-4-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-3-nitroaniline635-22-375 % similar 3,4-Dinitroaniline610-41-368 % similar 4-Nitro-m-phenylenediamine5131-58-864 % similar 2,4-Dichloronitrobenzene611-06-364 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-762 % similar 2-Chloro-4-fluoro-1-nitrobenzene2106-50-560 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 3-Methyl-4-nitroaniline611-05-260 % 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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