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4,6-diamino-3-phenyl-2H,3H-furo[2,3-b]pyridine-5-carbonitrile

4,6-diamino-3-phenyl-2H,3H-furo[2,3-b]pyridine-5-carbonitrile

CAS: 68846-29-7

Formula: C14H12N4O

SMILES: NC1=C(C#N)C(N)=C2C(COC2=N1)C1=CC=CC=C1

IUPAC: 4,6-diamino-3-phenyl-2H,3H-furo[2,3-b]pyridine-5-carbonitrile

InChI: InChI=1/C14H12N4O/c15-6-9-12(16)11-10(8-4-2-1-3-5-8)7-19-14(11)18-13(9)17/h1-5,10H,7H2,(H4,16,17,18)

Composition: C (66.65%), H (4.79%), N (22.21%), O (6.34%)

Molar Mass: 252.277

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 252.101111022
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HOCWEQONAMAMKU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.99
Topological Polar Surface Area 97.95
Polarizability 26.69
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 68846-29-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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