ethyl 4-bromo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate

ethyl 4-bromo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate

Formula: C17H21BBrNO4

SMILES: CCOC(=O)C1=CC2=C(Br)C=CC(B3OC(C)(C)C(C)(C)O3)=C2N1

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

InChI: InChI=1S/C17H21BBrNO4/c1-6-22-15(21)13-9-10-12(19)8-7-11(14(10)20-13)18-23-16(2,3)17(4,5)24-18/h7-9,20H,6H2,1-5H3

Composition: C (51.81%), H (5.37%), B (2.74%), Br (20.28%), N (3.55%), O (16.24%)

Molar Mass: 394.07

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	393.074701
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VYIWOOWVXBSJJP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	91.07
Topological Polar Surface Area	60.55
Polarizability	38.21
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H21BBrNO4		Quote Only