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7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

CAS: 912331-68-1

Formula: C15H20BNO2

SMILES: CC1=C2NC(=CC2=CC=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

InChI: InChI=1S/C15H20BNO2/c1-10-7-6-8-11-9-12(17-13(10)11)16-18-14(2,3)15(4,5)19-16/h6-9,17H,1-5H3

Composition: C (70.06%), H (7.84%), B (4.20%), N (5.45%), O (12.44%)

Molar Mass: 257.14

Atom Count: 39

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.158709
Formal Charge 0
FSP3 0.47
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AZNAYTQOYNEGPL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.09
Topological Polar Surface Area 34.25
Polarizability 31.02
Ring Count 3
Rotatable Bond Count 1

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