2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

CAS: 330792-76-2

Formula: C17H20BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(OC2=CC=CC=C2)N=C1

IUPAC: 2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

InChI: InChI=1S/C17H20BNO3/c1-16(2)17(3,4)22-18(21-16)13-10-11-15(19-12-13)20-14-8-6-5-7-9-14/h5-12H,1-4H3

Composition: C (68.71%), H (6.78%), B (3.64%), N (4.71%), O (16.15%)

Molar Mass: 297.16

Atom Count: 42

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	297.153624
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GMABRSOCDYXLIF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.11
Topological Polar Surface Area	40.58
Polarizability	33.44
Ring Count	3
Rotatable Bond Count	3

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