chempirical

1-(2-Chloro-4-nitrophenyl)piperazine

C10H12ClN3O2CAS 114878-60-3241.68 g/mol

Open in Covalent MOL file
NHNN+OO−Cl
Aryl halideNitroSecondary amineTertiary amine

Properties

Molecular formula
C10H12ClN3O2
Molar mass
241.68 g/mol
Exact mass
241.0618 Da
logP
1.66Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
114878-60-3
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChIKey
JNUWBYPJOBSXDN-UHFFFAOYSA-N
InChI
InChI=1S/C10H12ClN3O2/c11-9-7-8(14(15)16)1-2-10(9)13-5-3-12-4-6-13/h1-2,7,12H,3-6H2

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Names and synonyms

1 names
  • 1-(2-Chloro-4-nitrophenyl)-piperazine

Work with 1-(2-Chloro-4-nitrophenyl)piperazine

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-(4-Nitrophenyl)piperazine6269-89-263 % similar 1,2-Dichloro-4-nitrobenzene99-54-754 % similar 1-(2-Chlorophenyl)piperazine39512-50-053 % similar 1-(2-Nitrophenyl)piperazine59084-06-952 % similar 4-(5-Nitropyridin-2-yl)piperazine82205-58-152 % similar 2-Chloro-4-nitrotoluene121-86-849 % similar 2-Chloro-4-nitroaniline121-87-949 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-149 % similar

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

Elsewhere

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