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2-(2-fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2-fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 1599432-41-3

Formula: C13H18BFO3

SMILES: COC1=CC=CC(F)=C1B1OC(C)(C)C(C)(C)O1

IUPAC: 2-(2-fluoro-6-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)11-9(15)7-6-8-10(11)16-5/h6-8H,1-5H3

Composition: C (61.94%), H (7.20%), B (4.29%), F (7.54%), O (19.04%)

Molar Mass: 252.09

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.133303
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CSXSULPDIWBLHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.39
Topological Polar Surface Area 27.69
Polarizability 26.19
Ring Count 2
Rotatable Bond Count 2

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