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

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

CAS: 2096334-35-7

Formula: C17H22BF3O3

SMILES: CC1(C)OB(OC1(C)C)C1=CC(=CC(OCC2CC2)=C1)C(F)(F)F

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

InChI: InChI=1S/C17H22BF3O3/c1-15(2)16(3,4)24-18(23-15)13-7-12(17(19,20)21)8-14(9-13)22-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3

Composition: C (59.67%), H (6.48%), B (3.16%), F (16.66%), O (14.03%)

Molar Mass: 342.17

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 342.161409
Formal Charge 0
FSP3 0.65
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YXEALWMHMYIPSN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 80.09
Topological Polar Surface Area 27.69
Polarizability 32.36
Ring Count 3
Rotatable Bond Count 5

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