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6-[2-(furan-2-ylmethyl)diazen-1-yl]-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

6-[2-(furan-2-ylmethyl)diazen-1-yl]-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

Formula: C15H10IN7O2

SMILES: IC1=CC=C(NC2=NC3=NON=C3N=C2N=NCC2=CC=CO2)C=C1

IUPAC: 6-{2-[(furan-2-yl)methyl]diazen-1-yl}-N-(4-iodophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

InChI: InChI=1S/C15H10IN7O2/c16-9-3-5-10(6-4-9)18-12-13(20-15-14(19-12)22-25-23-15)21-17-8-11-2-1-7-24-11/h1-7H,8H2,(H,18,19,22)

Composition: C (40.29%), H (2.25%), I (28.38%), N (21.93%), O (7.16%)

Molar Mass: 447.196

Atom Count: 35

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 446.99407
Formal Charge 0
FSP3 0.07
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey OECYNROVKATZKT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.97
Topological Polar Surface Area 114.59
Polarizability 35.97
Ring Count 4
Rotatable Bond Count 5

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H10IN7O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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