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2-{[1,1'-biphenyl]-4-yl}-5,5-dimethyl-1,3,2-dioxaborinane

2-{[1,1'-biphenyl]-4-yl}-5,5-dimethyl-1,3,2-dioxaborinane

Formula: C17H19BO2

SMILES: CC1(C)COB(OC1)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 2-{[1,1'-biphenyl]-4-yl}-5,5-dimethyl-1,3,2-dioxaborinane

InChI: InChI=1S/C17H19BO2/c1-17(2)12-19-18(20-13-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3

Composition: C (76.72%), H (7.20%), B (4.06%), O (12.02%)

Molar Mass: 266.15

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 266.14781
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey YDDJRASPLUZILE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 76.36
Topological Polar Surface Area 18.46
Polarizability 33.22
Ring Count 3
Rotatable Bond Count 2

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