AG001GR5

1416367-04-8 | 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-(methylsulfinyl)phenyl]-

AG001GR5

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CAS Number	1416367-04-8
Catalog Number	AG001GR5(AGN-PC-0WA8RZ)
Chemical Name	1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-(methylsulfinyl)phenyl]-
IUPAC Name	4,4,5,5-tetramethyl-2-(3-methylsulfinylphenyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C13H19BO3S/c1-12(2)13(3,4)17-14(16-12)10-7-6-8-11(9-10)18(5)15/h6-9H,1-5H3
InChI Key	WRVNLMRGJRLGQE-UHFFFAOYSA-N
MDL Number	MFCD18733605
Molecular Formula	C13H19BO3S
Molecular Weight	266.1642
SMILES	O=S(C1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1)C
Synonyms	1416367-04-8, 2-(3-Methanesulfinylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4,4,5,5-Tetramethyl-2-(3-(methylsulfinyl)phenyl)-1,3,2-dioxaborolane, 3-Methanesulfinylphenylboronic acid, pinacol ester, 4,4,5,5-Tetramethyl-2-[3-(methylsulfinyl)phenyl]-1,3,2-dioxaborolane, KS-00000Z9Y, MFCD18733605, AKOS027253122, AS-55777, 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-(methylsulfinyl)phenyl]-, ACN-046479, 3-Methanesulfinylphenylboronic acid pinacol ester, 3-Methanesulfinylphenylboronic acid,pinacol ester,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.115g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	266.162g/mol
Monoisotopic Mass	266.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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