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4,4,5,5-tetramethyl-2-(2,4,6-trichlorophenyl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(2,4,6-trichlorophenyl)-1,3,2-dioxaborolane

CAS: 69807-93-8

Formula: C12H14BCl3O2

SMILES: CC1(C)OB(OC1(C)C)C1=C(Cl)C=C(Cl)C=C1Cl

IUPAC: 4,4,5,5-tetramethyl-2-(2,4,6-trichlorophenyl)-1,3,2-dioxaborolane

InChI: InChI=1S/C12H14BCl3O2/c1-11(2)12(3,4)18-13(17-11)10-8(15)5-7(14)6-9(10)16/h5-6H,1-4H3

Composition: C (46.89%), H (4.59%), B (3.52%), Cl (34.60%), O (10.41%)

Molar Mass: 307.4

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 306.015243
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey BGXCPGPJHBGRPJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 70.13
Topological Polar Surface Area 18.46
Polarizability 29.7
Ring Count 2
Rotatable Bond Count 1

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