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2-{3',4'-dichloro-[1,1'-biphenyl]-4-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-{3',4'-dichloro-[1,1'-biphenyl]-4-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Formula: C18H19BCl2O2

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C1=CC(Cl)=C(Cl)C=C1

IUPAC: 2-{3',4'-dichloro-[1,1'-biphenyl]-4-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C18H19BCl2O2/c1-17(2)18(3,4)23-19(22-17)14-8-5-12(6-9-14)13-7-10-15(20)16(21)11-13/h5-11H,1-4H3

Composition: C (61.94%), H (5.49%), B (3.10%), Cl (20.31%), O (9.17%)

Molar Mass: 349.06

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 348.085515
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KSNCDKBOJVAGPK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 90.46
Topological Polar Surface Area 18.46
Polarizability 38.71
Ring Count 3
Rotatable Bond Count 2

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