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

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

CAS: 1072811-21-2

Formula: C15H20BNO3

SMILES: COC1=C2C=C(NC2=CC=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)13-9-10-11(17-13)7-6-8-12(10)18-5/h6-9,17H,1-5H3

Composition: C (65.96%), H (7.38%), B (3.96%), N (5.13%), O (17.57%)

Molar Mass: 273.14

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	273.153624
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IRATVBPKOAAZGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.52
Topological Polar Surface Area	43.48
Polarizability	31.75
Ring Count	3
Rotatable Bond Count	2

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