2,5-Dichloro-4-nitrobenzenamine

C₆H₄Cl₂N₂O₂CAS 6627-34-5207.01 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄Cl₂N₂O₂
Molar mass: 207.01 g/mol
Exact mass: 205.9650 Da
Melting point: 153 °C
logP: 2.48Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

6627-34-5

SMILES

Nc1cc(Cl)c([N+](=O)[O-])cc1Cl

InChIKey

JBXZCPXEYAEMJS-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2

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Names and synonyms

5 names

Benzenamine, 2,5-dichloro-4-nitro-
Aniline, 2,5-dichloro-4-nitro-
2,5-Dichloro-4-nitroaniline
NSC 60645
2,5-Dichloro-4-nitrophenylamine

Work with 2,5-Dichloro-4-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

2-Chloro-5-nitro-1,4-benzenediamine26196-45-280 % similar 5-Chloro-2-methyl-4-nitrobenzenamine13852-51-271 % similar 2-Amino-4-chloro-5-nitrophenol6358-07-271 % similar 2,4,5-Trichloronitrobenzene89-69-069 % similar 1,3-Dichloro-4,6-dinitrobenzene3698-83-766 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-661 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-661 % similar 2-Chloro-4-nitroaniline121-87-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-9 4,5-Dichloro-2-nitrobenzenamine6641-64-1 2,6-Dichloro-4-nitroaniline99-30-9

Elsewhere

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