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7-(benzyloxy)-1H-indazole-3-carboxylic acid

7-(benzyloxy)-1H-indazole-3-carboxylic acid

CAS: 177941-17-2

Formula: C15H12N2O3

SMILES: OC(=O)C1=NNC2=C(OCC3=CC=CC=C3)C=CC=C12

IUPAC: 7-(benzyloxy)-1H-indazole-3-carboxylic acid

InChI: InChI=1S/C15H12N2O3/c18-15(19)14-11-7-4-8-12(13(11)16-17-14)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)(H,18,19)

Composition: C (67.16%), H (4.51%), N (10.44%), O (17.89%)

Molar Mass: 268.272

Atom Count: 32

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 268.084792254
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ZFVAAEXVMARVQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.03
Topological Polar Surface Area 75.21
Polarizability 29.09
Ring Count 3
Rotatable Bond Count 4

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