3,3-diethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

3,3-diethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

CAS: 874290-94-5

Formula: C17H27BN2O3

SMILES: CCN(CC)C(=O)NC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 3,3-diethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

InChI: InChI=1S/C17H27BN2O3/c1-7-20(8-2)15(21)19-14-11-9-13(10-12-14)18-22-16(3,4)17(5,6)23-18/h9-12H,7-8H2,1-6H3,(H,19,21)

Composition: C (64.16%), H (8.55%), B (3.40%), N (8.80%), O (15.08%)

Molar Mass: 318.22

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	318.211473
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OEIVWKLPBDQFDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.54
Topological Polar Surface Area	50.8
Polarizability	35.54
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	874290-94-5		$47.92-$510.71$47.92$134.93$510.71