5-fluoro-2-methoxy-N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}benzamide

5-fluoro-2-methoxy-N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}benzamide

CAS: 2413660-30-5

Formula: C21H25BFNO4

SMILES: COC1=CC=C(F)C=C1C(=O)NCC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 5-fluoro-2-methoxy-N-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}benzamide

InChI: InChI=1S/C21H25BFNO4/c1-20(2)21(3,4)28-22(27-20)15-8-6-14(7-9-15)13-24-19(25)17-12-16(23)10-11-18(17)26-5/h6-12H,13H2,1-5H3,(H,24,25)

Composition: C (65.47%), H (6.54%), B (2.81%), F (4.93%), N (3.64%), O (16.61%)

Molar Mass: 385.24

Atom Count: 53

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	385.186066
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	QBVDBRNHQFCTEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.98
Topological Polar Surface Area	56.79
Polarizability	40.45
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	2413660-30-5		$342.70-$1,587.00$342.70$572.70$977.50$1,587.00