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5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine

CAS: 953411-16-0

Formula: C13H18BN3O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C2NN=C(N)C2=C1

IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine

InChI: InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)8-5-6-10-9(7-8)11(15)17-16-10/h5-7H,1-4H3,(H3,15,16,17)

Composition: C (60.26%), H (7.00%), B (4.17%), N (16.22%), O (12.35%)

Molar Mass: 259.12

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 259.149207
Formal Charge 0
FSP3 0.46
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IVUMUNXPWHOTHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.74
Topological Polar Surface Area 73.16
Polarizability 29.45
Ring Count 3
Rotatable Bond Count 1

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97% <7 Days 953411-16-0 $24.84-$938.75$24.84$42.44$113.85$478.17$938.75
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95% <5 Days 953411-16-0 $286.25$286.25
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