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1-methyl-4-(3-methyl-4-nitrophenyl)piperazine

1-methyl-4-(3-methyl-4-nitrophenyl)piperazine

CAS: 16154-61-3

Formula: C12H17N3O2

SMILES: CN1CCN(CC1)C1=CC=C(C(C)=C1)[N+]([O-])=O

IUPAC: 1-methyl-4-(3-methyl-4-nitrophenyl)piperazine

InChI: InChI=1S/C12H17N3O2/c1-10-9-11(3-4-12(10)15(16)17)14-7-5-13(2)6-8-14/h3-4,9H,5-8H2,1-2H3

Composition: C (61.26%), H (7.28%), N (17.86%), O (13.60%)

Molar Mass: 235.287

Atom Count: 34

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 235.132076799
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YVVZWEJZESFFDB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.9
Topological Polar Surface Area 49.62
Polarizability 25.1
Ring Count 2
Rotatable Bond Count 2

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