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1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine

1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine

Formula: C19H21N3O4

SMILES: [O-][N+](=O)C1=CC=CC=C1CN1CCN(CC2=CC=C3OCOC3=C2)CC1

IUPAC: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(2-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C19H21N3O4/c23-22(24)17-4-2-1-3-16(17)13-21-9-7-20(8-10-21)12-15-5-6-18-19(11-15)26-14-25-18/h1-6,11H,7-10,12-14H2

Composition: C (64.21%), H (5.96%), N (11.82%), O (18.01%)

Molar Mass: 355.394

Atom Count: 47

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 355.153206168
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey YBNXHYNHRCFQBN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.35
Topological Polar Surface Area 68.08
Polarizability 37.62
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H21N3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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