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5-(benzyloxy)-1H-indazole-3-carbaldehyde

5-(benzyloxy)-1H-indazole-3-carbaldehyde

CAS: 885271-28-3

Formula: C15H12N2O2

SMILES: O=CC1=NNC2=CC=C(OCC3=CC=CC=C3)C=C12

IUPAC: 5-(benzyloxy)-1H-indazole-3-carbaldehyde

InChI: InChI=1S/C15H12N2O2/c18-9-15-13-8-12(6-7-14(13)16-17-15)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)

Composition: C (71.42%), H (4.79%), N (11.10%), O (12.68%)

Molar Mass: 252.273

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 252.089877634
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LSVWVZRXSDJJFU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.35
Topological Polar Surface Area 54.98
Polarizability 28.67
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 885271-28-3 $342.70-$5,612.00$342.70$457.70$687.70$977.50$1,587.00$5,612.00
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