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4,4,5,5-tetramethyl-2-(4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy}phenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy}phenyl)-1,3,2-dioxaborolane

CAS: 957061-07-3

Formula: C26H36B2O6

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(OCCOC2=CC=C(C=C2)B2OC(C)(C)C(C)(C)O2)C=C1

IUPAC: 4,4,5,5-tetramethyl-2-(4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy}phenyl)-1,3,2-dioxaborolane

InChI: InChI=1S/C26H36B2O6/c1-23(2)24(3,4)32-27(31-23)19-9-13-21(14-10-19)29-17-18-30-22-15-11-20(12-16-22)28-33-25(5,6)26(7,8)34-28/h9-16H,17-18H2,1-8H3

Composition: C (66.99%), H (7.78%), B (4.64%), O (20.59%)

Molar Mass: 466.19

Atom Count: 70

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 466.269799
Formal Charge 0
FSP3 0.54
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey WYXYACQNJWQTSI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 122.38
Topological Polar Surface Area 55.38
Polarizability 52.3
Ring Count 4
Rotatable Bond Count 7

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97% <7 Days 957061-07-3 $84.15-$218.79$84.15$114.07$218.79
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