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2-(3,5-dichloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,5-dichloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

CAS: 942069-73-0

Formula: C13H17BCl2O2

SMILES: CC1=C(Cl)C=C(C=C1Cl)B1OC(C)(C)C(C)(C)O1

IUPAC: 2-(3,5-dichloro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChI: InChI=1S/C13H17BCl2O2/c1-8-10(15)6-9(7-11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3

Composition: C (54.41%), H (5.97%), B (3.77%), Cl (24.70%), O (11.15%)

Molar Mass: 286.99

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.069865
Formal Charge 0
FSP3 0.54
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey SZTBWTOKHBQRKC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 70.36
Topological Polar Surface Area 18.46
Polarizability 29.51
Ring Count 2
Rotatable Bond Count 1

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