AG003ENX

866545-91-7 | 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine

AG003ENX

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CAS Number	866545-91-7
Catalog Number	AG003ENX(AGN-PC-0V7LH0)
Chemical Name	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
IUPAC Name	1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI	InChI=1S/C20H23BN2O4S/c1-14-8-10-15(11-9-14)28(24,25)23-13-17(16-7-6-12-22-18(16)23)21-26-19(2,3)20(4,5)27-21/h6-13H,1-5H3
InChI Key	NXAUWIGLTZPZKD-UHFFFAOYSA-N
MDL Number	MFCD11616456
Molecular Formula	C20H23BN2O4S
Molecular Weight	398.2836
SMILES	CC1=CC=C(C=C1)S(=O)(=O)N1C=C(B2OC(C)(C)C(C)(C)O2)C2=CC=CN=C12
Synonyms	866545-91-7, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine, 1-Tosyl-7-azaindole-3-boronic Acid Pinacol Ester, 1H-PYRROLO[2,3-B]PYRIDINE, 1-[(4-METHYLPHENYL)SULFONYL]-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, AK-80954, SCHEMBL1891374, CTK8C2171, KS-00000AUZ, DTXSID10677989, NXAUWIGLTZPZKD-UHFFFAOYSA-N, 1-N-Tos-3-B(Pin)-7-azaindole, BCP19815, 3604AC, ANW-67934, MFCD11616456, AKOS016007175, ZINC169810977, RL05365, SB15748, DS-16077, OR350552, SC-58662, SY028255, AX8237846, TC-156679, 4CH-003870, CS-0004209, FT-0687845, 1-Tosyl-7-azaindole-3-boronicAcidPinacolEster, Z-3778, MFCD11616456 (95+%), 1-(2-hydroxymethyl-phenyl)-piperidine-2-carboxylic, J-510643, 1-Tosyl-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid pinacol ester, 1-tosyl-1h-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester, (1-TOSYL-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER, 1-[(4-methylbenzene)sulfonyl]-1h-pyrrolo[2,3-b]pyridine-3-boronic acid pinacol ester, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine, 1-(4-Methylbenzene-1-sulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, 1-(4-methylbenzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, 1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine, 1-(p-tolylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine, 1-[(4-methylbenzene)sulfonyl]-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(toluene-4-sulfonyl)-1 H-pyrrolo[2,3-b]pyridine, 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine, C20H23BN2O4S, 2-Hydroxy-5-(thiophene-2-sulfonylamino)-benzoic acid, 1-(2-HYDROXYMETHYL-PHENYL)-PIPERIDINE-2-CARBOXYLIC ACID ETHYL ESTER,

Complexity	669
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	398.147g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	398.284g/mol
Monoisotopic Mass	398.147g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number