AG001MA2

150033-80-0 | Benzoic acid, 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-, methyl ester

AG001MA2

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CAS Number	150033-80-0
Catalog Number	AG001MA2(AGN-PC-0Q46F6)
Chemical Name	Benzoic acid, 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-, methyl ester
IUPAC Name	methyl 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]benzoate
InChI	InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)10-11-6-8-12(9-7-11)13(17)18-5/h6-9H,10H2,1-5H3
InChI Key	QMZVNHRBNWDLTE-UHFFFAOYSA-N
MDL Number	MFCD18383373
Molecular Formula	C15H21BO4
Molecular Weight	276.1358
SMILES	O=C(OC)C1=CC=C(CB2OC(C)(C)C(C)(C)O2)C=C1
Synonyms	150033-80-0, Methyl 4-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl)benzoate, 4-(Methoxycarbonyl)benzylboronic Acid Pinacol Ester, (4-(METHOXYCARBONYL)BENZYL)BORONIC ACID PINACOL ESTER, KS-00000T9W, 6005AJ, MFCD18383373, AKOS027251093, ZINC170002811, AK187420, DS-10108, SY018017, Z-4425, MFCD18383373 (97+%), 2-[4-(Methoxycarbonyl)benzyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, Benzoic acid, 4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-, methyl ester, C15H21BO4, QMZVNHRBNWDLTE-UHFFFAOYSA-N,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.153g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	276.139g/mol
Monoisotopic Mass	276.153g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.8A^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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