AG00222B

180516-87-4 | Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

AG00222B

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CAS Number	180516-87-4
Catalog Number	AG00222B(AGN-PC-0KK6NI)
Chemical Name	Benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
IUPAC Name	4-(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)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key	IYDKBQIEOBXLTP-UHFFFAOYSA-N
MDL Number	MFCD01863710
Molecular Formula	C13H17BO4
Molecular Weight	248.0827
SMILES	C1=C(C=CC(=C1)C(=O)O)B2OC(C(O2)(C)C)(C)C
Synonyms	180516-87-4, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 4-Carboxyphenylboronic acid pinacol ester, 4-Carboxylphenylboronic acid pinacol ester, 4-carboxyphenylboronic acid, pinacol ester, MFCD01863710, 4-Carboxyphenylboronicacidpinacolester, 4-carboxyphenylboronic acid,pinacol ester, AK-25519, 4-carboxybenzeneboronic acid pinacol ester, BENZOIC ACID, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 2-(4-Carboxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 97%, IYDKBQIEOBXLTP-UHFFFAOYSA-N, PubChem1768, AC1MC1JW, AMTB007, SCHEMBL105188, DTXSID90370401, ZXBA000038, ACT03746, KS-00000AT9, ZX-AT005897, EBD955714, SBB068309, 4-carboxyphenylboronic acid pinacolate, AKOS015915428, ZINC169743286, AB10408, AC-6993, AN-9481, AS-2258, CC-1348, CS-W000887, FCH2712327, OR10406, RP06057, ACM180516874, AT-15802, BC000215, BR-25519, CC-16457, SC-01894, SY002371, 4-carboxyphenylboronic acid pinacol ester;, (4-carboxyphenyl)boronic acid pinacol ester, 4-carboxybenzeneboronic acid, pinacol ester, AB0008771, AB1004683, AX8014831, (4-carboxyphenyl)boronic acid, pinacol ester, 4CH-003174, A4001, AM20050295, FT-0643741, ST24028753, 4-carboxybenzeneboronic acid pinacolcyclicester, B-2985, 4-Carboxylphenylboronic acid pinacol ester, 97%, 4-carboxyphenylboronic acid, pinacol cyclic ester, MFCD01863710 (97+%), 516T874, C-15180, I14-5947, J-011531, J-513429, 4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzoic acid, 2-(4'-carboxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;, 4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-benzoic acid, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid;, 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoic acid, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoic acid;, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;, 4-(hydroxy(3-hydroxy-2,3-dimethylbutan-2-yloxy)boryl)benzoic acid, p-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid;, 4-(4, 4,5, 5-tetramethyl- [1, 3,2] dioxaborolan-2-yl)-benzoic acid, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL),BENZOIC ACID, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; 4-Carboxybenzeneboronic acid pinacol ester, C13H17BO4, ACN-032745, CID2734621, T2841, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 97% - 1G 1g,

Complexity	316
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

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