AG00168D

1218789-82-2 | 3-Butoxy-5-methylphenylboronic acid, pinacol ester

AG00168D

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CAS Number	1218789-82-2
Catalog Number	AG00168D(AGN-PC-0WA8DA)
Chemical Name	3-Butoxy-5-methylphenylboronic acid, pinacol ester
IUPAC Name	2-(3-butoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C17H27BO3/c1-7-8-9-19-15-11-13(2)10-14(12-15)18-20-16(3,4)17(5,6)21-18/h10-12H,7-9H2,1-6H3
InChI Key	IYHABOWXIZNELA-UHFFFAOYSA-N
MDL Number	MFCD12546606
Molecular Formula	C17H27BO3
Molecular Weight	290.2055
SMILES	CCCCOc1cc(cc(c1)C)B1OC(C(O1)(C)C)(C)C
Synonyms	1218789-82-2, 2-(3-Butoxy-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-Butoxy-5-methylphenylboronic acid, pinacol ester, 3-Butoxy-5-methylphenylboronic acid pinacol ester, CTK8C1207, DTXSID40675291, ANW-66064, MFCD12546606, AKOS016004651, ZINC169905091, OR360833, AX8236099, TR-034775, X1712, A-5615, 3-Butoxy-5-methylphenylboronic acid,pinacol ester, 1,3,2-Dioxaborolane, 2-(3-butoxy-5-methylphenyl)-4,4,5,5-tetramethyl-, C17H27BO3, IYHABOWXIZNELA-UHFFFAOYSA-N,

Complexity	327
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	5
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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