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

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

CAS: 1072811-67-6

Formula: C16H20BNO4

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

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

InChI: InChI=1S/C16H20BNO4/c1-15(2)16(3,4)22-17(21-15)13-9-11-10(14(19)20-5)7-6-8-12(11)18-13/h6-9,18H,1-5H3

Composition: C (63.81%), H (6.69%), B (3.59%), N (4.65%), O (21.25%)

Molar Mass: 301.15

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	301.148538
Formal Charge	0
FSP3	0.44
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DBUOXHIKCAIAHS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.08
Topological Polar Surface Area	60.55
Polarizability	33.64
Ring Count	3
Rotatable Bond Count	3

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