AG0026TL

179117-44-3 | 4-Aminocarbonylphenylboronic acid pinacol ester

AG0026TL

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CAS Number	179117-44-3
Catalog Number	AG0026TL(AGN-PC-0KKO1V)
Chemical Name	4-Aminocarbonylphenylboronic acid pinacol ester
IUPAC Name	4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI	InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H2,15,16)
InChI Key	NWEMAGLLVQDEKL-UHFFFAOYSA-N
MDL Number	MFCD05663887
Molecular Formula	C13H18BNO3
Molecular Weight	247.0979
SMILES	CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)C(N)=O
Synonyms	179117-44-3, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, 4-Aminocarbonylphenylboronic acid pinacol ester, 4-aminocarbonylphenylboronic acid, pinacol ester, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide, AK-61624, AC1MC30N, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, SCHEMBL476916, CTK4D7196, KS-00000GYX, DTXSID20375242, NWEMAGLLVQDEKL-UHFFFAOYSA-N, BM203, ZXBA000176, ZX-RL003200, ANW-74335, MFCD05663887, AKOS015910395, ZINC169748062, AB22030, BS-2087, FCH2717359, RTR-008221, 4-(boronic acid pinacol ester)-benzamide, ACM179117443, CC-16456, OR303954, AB1007783, AX8014888, DB-044352, FT-0643731, X0580, A-3686, 4-(Aminocarbonyl)phenylboronic acid pinacol ester, A812429, C-15084, J-011430, I14-40784, 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide, 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzamide, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide, 4-Aminocarbonylphenylboronic acid, pinacol ester, AldrichCPR, Benzamide,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamide, AldrichCPR, BENZAMIDE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, C13H18BNO3, ACN-032676, CID2760588,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.138g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.101g/mol
Monoisotopic Mass	247.138g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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