benzyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

benzyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

CAS: 1218791-13-9

Formula: C20H23BFNO4

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(NC(=O)OCC2=CC=CC=C2)C=C1F

IUPAC: benzyl N-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

InChI: InChI=1S/C20H23BFNO4/c1-19(2)20(3,4)27-21(26-19)16-11-10-15(12-17(16)22)23-18(24)25-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3,(H,23,24)

Composition: C (64.71%), H (6.25%), B (2.91%), F (5.12%), N (3.77%), O (17.24%)

Molar Mass: 371.22

Atom Count: 50

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	371.170416
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XPCYDSDRORRCFT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.03
Topological Polar Surface Area	56.79
Polarizability	38.83
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1218791-13-9		$25.22-$892.79$25.22$52.96$107.19$166.45$306.42$892.79