5-fluoro-2-(methoxymethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

5-fluoro-2-(methoxymethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Formula: C15H19BFNO4

SMILES: COCOC1=C(C=C(F)C=C1B1OC(C)(C)C(C)(C)O1)C#N

IUPAC: 5-fluoro-2-(methoxymethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

InChI: InChI=1S/C15H19BFNO4/c1-14(2)15(3,4)22-16(21-14)12-7-11(17)6-10(8-18)13(12)20-9-19-5/h6-7H,9H2,1-5H3

Composition: C (58.66%), H (6.24%), B (3.52%), F (6.19%), N (4.56%), O (20.84%)

Molar Mass: 307.13

Atom Count: 41

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	307.139116
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	YCQHJOHPVIKPNR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.97
Topological Polar Surface Area	60.71
Polarizability	30.6
Ring Count	2
Rotatable Bond Count	4

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
97%	<2 Days	C15H19BFNO4		$304.75-$1,374.25$304.75$690.00$1,374.25