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1-(furan-2-carbonyl)-4-[(4-nitrophenyl)methyl]piperazine

1-(furan-2-carbonyl)-4-[(4-nitrophenyl)methyl]piperazine

Formula: C16H17N3O4

SMILES: [O-][N+](=O)C1=CC=C(CN2CCN(CC2)C(=O)C2=CC=CO2)C=C1

IUPAC: 1-(furan-2-carbonyl)-4-[(4-nitrophenyl)methyl]piperazine

InChI: InChI=1S/C16H17N3O4/c20-16(15-2-1-11-23-15)18-9-7-17(8-10-18)12-13-3-5-14(6-4-13)19(21)22/h1-6,11H,7-10,12H2

Composition: C (60.94%), H (5.43%), N (13.33%), O (20.29%)

Molar Mass: 315.329

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.121906039
Formal Charge 0
FSP3 0.31
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AKZUVQSCRWMOEZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.3
Topological Polar Surface Area 79.83
Polarizability 31.54
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H17N3O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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