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

C₁₀H₁₂ClN₃O₂CAS 114878-60-3241.68 g/mol

Open in Covalent MOL file

Aryl halide Nitro Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

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

Weigh it out

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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-(2-Fluoro-4-nitrophenyl)piperazine154590-33-767 % similar 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 N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine58315-38-150 % similar 2-Chloro-4-nitrotoluene121-86-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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