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

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

CAS: 850567-59-8

Formula: C17H27BN2O3

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

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

InChI: InChI=1S/C17H27BN2O3/c1-6-7-12-19-15(21)20-14-10-8-13(9-11-14)18-22-16(2,3)17(4,5)23-18/h8-11H,6-7,12H2,1-5H3,(H2,19,20,21)

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	2
InChIKey	VJOWMSHFZXSAFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.02
Topological Polar Surface Area	59.59
Polarizability	35.54
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	850567-59-8		$95.22$95.22