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6-amino-4-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C15H11ClN4O3

SMILES: CC1=C2C(C3=CC4=C(OCO4)C=C3Cl)C(C#N)=C(N)OC2=NN1

IUPAC: 6-amino-4-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-methyl-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C15H11ClN4O3/c1-6-12-13(8(4-17)14(18)23-15(12)20-19-6)7-2-10-11(3-9(7)16)22-5-21-10/h2-3,13H,5,18H2,1H3,(H,19,20)

Composition: C (54.48%), H (3.35%), Cl (10.72%), N (16.94%), O (14.51%)

Molar Mass: 330.73

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 330.0519679
Formal Charge 0
FSP3 0.2
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey CJZTZOWANLKCII-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.81
Topological Polar Surface Area 106.18
Polarizability 30.99
Ring Count 4
Rotatable Bond Count 1

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H11ClN4O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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