1-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine-2,5-dione

1-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine-2,5-dione

CAS: 2096997-21-4

Formula: C17H22BNO4

SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC(CN2C(=O)CCC2=O)=C1

IUPAC: 1-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}pyrrolidine-2,5-dione

InChI: InChI=1S/C17H22BNO4/c1-16(2)17(3,4)23-18(22-16)13-7-5-6-12(10-13)11-19-14(20)8-9-15(19)21/h5-7,10H,8-9,11H2,1-4H3

Composition: C (64.79%), H (7.04%), B (3.43%), N (4.44%), O (20.30%)

Molar Mass: 315.18

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	315.164188
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	LQVLWKHCUUWWLG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.45
Topological Polar Surface Area	55.84
Polarizability	33.76
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	2096997-21-4		$45.89-$174.80$45.89$51.35$62.27$63.37$86.31$174.80