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7-(benzyloxy)-3-iodo-2H-indazole

7-(benzyloxy)-3-iodo-2H-indazole

CAS: 944899-22-3

Formula: C14H11IN2O

SMILES: IC1=C2C=CC=C(OCC3=CC=CC=C3)C2=NN1

IUPAC: 7-(benzyloxy)-3-iodo-2H-indazole

InChI: InChI=1S/C14H11IN2O/c15-14-11-7-4-8-12(13(11)16-17-14)18-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)

Composition: C (48.02%), H (3.17%), I (36.24%), N (8.00%), O (4.57%)

Molar Mass: 350.159

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 349.99161
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VQZURTFNQVMZSJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.56
Topological Polar Surface Area 37.91
Polarizability 31.81
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 944899-22-3 $207.00-$5,612.00$207.00$299.00$483.00$851.00$1,587.00$5,612.00
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