methyl 5-(benzyloxy)-1H-indazole-3-carboxylate

methyl 5-(benzyloxy)-1H-indazole-3-carboxylate

CAS: 885278-62-6

Formula: C16H14N2O3

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

IUPAC: methyl 5-(benzyloxy)-1H-indazole-3-carboxylate

InChI: InChI=1S/C16H14N2O3/c1-20-16(19)15-13-9-12(7-8-14(13)17-18-15)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,17,18)

Composition: C (68.08%), H (5.00%), N (9.92%), O (17.00%)

Molar Mass: 282.299

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	282.100442319
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SGZVYMUGMPJIGU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.8
Topological Polar Surface Area	64.21
Polarizability	31.18
Ring Count	3
Rotatable Bond Count	5

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