N,N-diethyl-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N,N-diethyl-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Formula: C17H25BFNO3

SMILES: CCN(CC)C(=O)C1=CC(F)=CC(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: N,N-diethyl-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

InChI: InChI=1S/C17H25BFNO3/c1-7-20(8-2)15(21)12-9-13(11-14(19)10-12)18-22-16(3,4)17(5,6)23-18/h9-11H,7-8H2,1-6H3

Composition: C (63.57%), H (7.85%), B (3.37%), F (5.91%), N (4.36%), O (14.94%)

Molar Mass: 321.2

Atom Count: 48

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.191152
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BPXLGBDEMLOCSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.3
Topological Polar Surface Area	38.77
Polarizability	33.86
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H25BFNO3		Quote Only