AG0048YX

886547-94-0 | 1-(Phenylsulfonyl)-7-azaindole-3-boronic acid, poinacol ester

AG0048YX

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CAS Number	886547-94-0
Catalog Number	AG0048YX(AGN-PC-0VMZZ0)
Chemical Name	1-(Phenylsulfonyl)-7-azaindole-3-boronic acid, poinacol ester
IUPAC Name	1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI	InChI=1S/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3
InChI Key	KZANVIJXSQABKR-UHFFFAOYSA-N
MDL Number	MFCD09999194
Molecular Formula	C19H21BN2O4S
Molecular Weight	384.2570
SMILES	C1(=CC=CC=C1)S(=O)(=O)N1C=C(C=2C1=NC=CC2)B2OC(C(O2)(C)C)(C)C
Synonyms	886547-94-0, 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine, 1-(PHENYLSULFONYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE, MFCD09999194, 1-(BENZENESULFONYL)-1H-PYRROLO[2,3-B]PYRIDINE-3-BORONIC ACID PINACOL ESTER, 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine, 1-(benzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine, AK-24551, 1-(PHENYLSULFONYL)-7-AZAINDOLE-3-BORONIC ACID PINACOL ESTER, J-503488, 1-Phenylsulfonyl-7-azaindole-3-boronic acid pinacol ester, 1-Phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine-3-boronic acid piinacol ester, (1-(PHENYLSULFONYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER, 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, 1-benzenesulfonyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, AC1Q2CST, KSC916A4P, SCHEMBL1045785, CTK8B6047, DTXSID60670566, KZANVIJXSQABKR-UHFFFAOYSA-N, CS-B0525, KS-000002YV, ANW-52296, AKOS005146502, ZINC169745160, PB29764, RP08043, AS-30861, BR-24551, OR360158, 1-N-Phenylsulfonyl-3-B(Pin)-7-azaindole, AB0027334, AB1011616, AX8159616, ST1090499, 4CH-008371, FT-0649543, W9157, A-2713, EN300-212699, A842828, I09-1623, 1-(Phenylsulfonyl)-7-azaindole-3-boronic acid, poinacol ester, 1-(Phenylsulfonyl)-7-azaindole-3-boronic acid,poinacol ester, 1-(Phenylsulfonyl)-7-azaindole-3-boronic acid pinacol ester, 95%, 1-(benzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine, 1-(Phenylsulfonyl);-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrrolo[2,3-b]pyridine, 1-Benzenesulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, C19H21BN2O4S, 1- -1H-pyrrolo[2,3-b]pyridine-3-boronicacidpinacolester, 1H-PYRROLO[2,3-B]PYRIDINE, 1-(PHENYLSULFONYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-,

Complexity	641
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	384.132g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	384.257g/mol
Monoisotopic Mass	384.132g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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