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

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

CAS: 1366602-62-1

Formula: C17H27BO5

SMILES: COCCOCCOC1=CC=C(C=C1)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C17H27BO5/c1-16(2)17(3,4)23-18(22-16)14-6-8-15(9-7-14)21-13-12-20-11-10-19-5/h6-9H,10-13H2,1-5H3

Composition: C (63.37%), H (8.45%), B (3.35%), O (24.83%)

Molar Mass: 322.21

Atom Count: 50

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 322.195154
Formal Charge 0
FSP3 0.65
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey VAIZYGOXWWZRDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.26
Topological Polar Surface Area 46.15
Polarizability 35.27
Ring Count 2
Rotatable Bond Count 8

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