AG00168F

1218789-78-6 | 3-Isobutoxy-5-methylphenylboronic acid, pinacol ester

AG00168F

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CAS Number	1218789-78-6
Catalog Number	AG00168F(AGN-PC-07XUJN)
Chemical Name	3-Isobutoxy-5-methylphenylboronic acid, pinacol ester
IUPAC Name	4,4,5,5-tetramethyl-2-[3-methyl-5-(2-methylpropoxy)phenyl]-1,3,2-dioxaborolane
InChI	InChI=1S/C17H27BO3/c1-12(2)11-19-15-9-13(3)8-14(10-15)18-20-16(4,5)17(6,7)21-18/h8-10,12H,11H2,1-7H3
InChI Key	UDSMETWQXRTDFS-UHFFFAOYSA-N
MDL Number	MFCD12546603
Molecular Formula	C17H27BO3
Molecular Weight	290.2055
SMILES	CC(COc1cc(C)cc(c1)B1OC(C(O1)(C)C)(C)C)C
Synonyms	1218789-78-6, 2-(3-Isobutoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-Isobutoxy-5-methylphenylboronic acid, pinacol ester, 3-Isobutoxy-5-methylphenylboronic acid pinacol ester, CTK8C1208, DTXSID10675288, ANW-66065, MFCD12546603, AKOS016004650, ZINC169905085, OR361286, AX8236098, TR-034773, X1711, A-5613, 3-Isobutoxy-5-methylphenylboronic acid,pinacol ester, 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-methyl-5-(2-methylpropoxy)phenyl]-, 4,4,5,5-tetramethyl-2-[3-methyl-5-(2-methylpropoxy)phenyl]-1,3,2-dioxaborolane, C17H27BO3, UDSMETWQXRTDFS-UHFFFAOYSA-N,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.205g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.21g/mol
Monoisotopic Mass	290.205g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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