methyl 2-acetamido-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

methyl 2-acetamido-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS: 760989-61-5

Formula: C16H22BNO5

SMILES: COC(=O)C1=CC=C(C=C1NC(C)=O)B1OC(C)(C)C(C)(C)O1

IUPAC: methyl 2-acetamido-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

InChI: InChI=1S/C16H22BNO5/c1-10(19)18-13-9-11(7-8-12(13)14(20)21-6)17-22-15(2,3)16(4,5)23-17/h7-9H,1-6H3,(H,18,19)

Composition: C (60.21%), H (6.95%), B (3.39%), N (4.39%), O (25.06%)

Molar Mass: 319.16

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	319.159103
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WDCXANZEXWZEQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.6
Topological Polar Surface Area	73.86
Polarizability	33.32
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	760989-61-5		$109.71-$238.33$109.71$238.33