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2-(5-chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 2246586-13-8

Formula: C12H14BClF2O2

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

IUPAC: 2-(5-chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C12H14BClF2O2/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6H,1-4H3

Composition: C (52.51%), H (5.14%), B (3.94%), Cl (12.91%), F (13.84%), O (11.66%)

Molar Mass: 274.5

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 274.074344
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MKDFAVKAJNKOJD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.95
Topological Polar Surface Area 18.46
Polarizability 25.31
Ring Count 2
Rotatable Bond Count 1

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