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4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

CAS: 1073339-21-5

Formula: C13H16BF3O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1C(F)(F)F

IUPAC: 4,4,5,5-tetramethyl-2-[2-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

InChI: InChI=1S/C13H16BF3O2/c1-11(2)12(3,4)19-14(18-11)10-8-6-5-7-9(10)13(15,16)17/h5-8H,1-4H3

Composition: C (57.39%), H (5.93%), B (3.97%), F (20.95%), O (11.76%)

Molar Mass: 272.07

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 272.119544
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HBQNDHPCMDZKNT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.69
Topological Polar Surface Area 18.46
Polarizability 25.05
Ring Count 2
Rotatable Bond Count 2

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