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3-methyl-1-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}butan-1-one

3-methyl-1-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}butan-1-one

Formula: C16H23N3O3

SMILES: CC(C)CC(=O)N1CCN(CC2=CC=CC(=C2)[N+]([O-])=O)CC1

IUPAC: 3-methyl-1-{4-[(3-nitrophenyl)methyl]piperazin-1-yl}butan-1-one

InChI: InChI=1S/C16H23N3O3/c1-13(2)10-16(20)18-8-6-17(7-9-18)12-14-4-3-5-15(11-14)19(21)22/h3-5,11,13H,6-10,12H2,1-2H3

Composition: C (62.93%), H (7.59%), N (13.76%), O (15.72%)

Molar Mass: 305.378

Atom Count: 45

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.173941613
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey XZSBDUSINWPOSM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.02
Topological Polar Surface Area 66.69
Polarizability 32.61
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H23N3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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