AG003J5Z

269409-73-6 | 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

AG003J5Z

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CAS Number	269409-73-6
Catalog Number	AG003J5Z(AGN-PC-0KK6O8)
Chemical Name	3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI	InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key	OPWAPCOSDAFWFB-UHFFFAOYSA-N
MDL Number	MFCD03411930
Molecular Formula	C13H17BO4
Molecular Weight	248.0827
SMILES	C1=C(C=CC=C1B2OC(C(O2)(C)C)(C)C)C(=O)O
Synonyms	269409-73-6, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 3-Carboxyphenylboronic acid pinacol ester, 3-carboxyphenylboronic acid, pinacol ester, (3-Carboxyphenyl)boronic acid, pinacol ester, MFCD03411930, AK-34459, BENZOIC ACID, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 3-carboxyphenylboronicacidpinacolester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 97%, PubChem17048, AC1MC1ME, AMTB044, KSC005Q3D, SCHEMBL488896, CHEMBL573441, CTK9A5831, DTXSID10370423, OPWAPCOSDAFWFB-UHFFFAOYSA-N, BM053, ZXBA000040, ACT11010, BCP27288, ZX-AT019647, SBB068310, AKOS015915430, ZINC169743297, AB14278, AC-2891, AS-2286, CC-1330, CS-W003049, FCH2712758, OR10405, RP07665, ACM269409736, AN-13487, BC000297, BR-34459, QC-10925, SC-27209, SY003278, AB0008790, AX8014830, DB-015980, 4CH-003074, AM20050468, FT-0083684, FT-0644218, ST24032559, 3-Carboxyphenylboronic acid pinacol ester, 97%, A-9194, MFCD03411930 (97+%), 409T736, I14-5949, J-512162, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 2-(3-Carboxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoic acid, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid, 3-(4?4?5?5-Tetramethyl-1?3?2-dioxaborolan-2-yl)benzoic acid, C13H17BO4, RW1682, ACN-032636, CID2734653, T3162, A15436,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.122g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.085g/mol
Monoisotopic Mass	248.122g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number