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Chemical Product CAS:5749-39-31-(2-chloro-6-nitro-phenyl)piperazine


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1-(2-chloro-6-nitro-phenyl)piperazine ( CASNO:5749-39-3 )

Identification and Related Records
CAS Registry number:
BAS 00805344
Piperazine, 1-(2-chloro-6-nitrophenyl)-
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Chemical and Physical Properties
Computed Properties:
Molecular Weight:241.67418 [g/mol]
Molecular Formula:C10H12ClN3O2
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:1
Exact Mass:241.061804
MonoIsotopic Mass:241.061804
Topological Polar Surface Area:61.1
Heavy Atom Count:16
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:3.2
Conformer Sampling RMSD:0.6
CID Conformer Count:2
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