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methyl 3-[2-(tert-butoxy)-2-oxoethyl]-2H-indazole-6-carboxylate

methyl 3-[2-(tert-butoxy)-2-oxoethyl]-2H-indazole-6-carboxylate

CAS: 2355385-28-1

Formula: C15H18N2O4

SMILES: COC(=O)C1=CC2=NNC(CC(=O)OC(C)(C)C)=C2C=C1

IUPAC: methyl 3-[2-(tert-butoxy)-2-oxoethyl]-2H-indazole-6-carboxylate

InChI: InChI=1S/C15H18N2O4/c1-15(2,3)21-13(18)8-12-10-6-5-9(14(19)20-4)7-11(10)16-17-12/h5-7H,8H2,1-4H3,(H,16,17)

Composition: C (62.06%), H (6.25%), N (9.65%), O (22.04%)

Molar Mass: 290.319

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.126657068
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PGGZIIZMNLMYPG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.61
Topological Polar Surface Area 81.28
Polarizability 30.89
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2355385-28-1 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
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