AG004HPH

880769-95-9 | 1-(benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine

AG004HPH

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CAS Number	880769-95-9
Catalog Number	AG004HPH(AGN-PC-0OLG08)
Chemical Name	1-(benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine
IUPAC Name	1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine
InChI	InChI=1S/C13H9BrN2O2S/c14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10/h1-9H
InChI Key	TZTSMNAZKFSLIC-UHFFFAOYSA-N
MDL Number	MFCD09839041
Molecular Formula	C13H9BrN2O2S
Molecular Weight	337.1918
SMILES	BrC1=C[N](C2=NC=CC=C12)[S](=O)(=O)C3=CC=CC=C3
Synonyms	880769-95-9, 3-Bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine, 1-(Benzenesulfonyl)-3-bromo-1H-pyrrolo[2,3-b]pyridine, N-Phenylsulfonyl-3-Bromo-7-azaindole, MFCD09839041, 3-Bromo-1-phenylsulfonyl-7-azaindole, 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-1-(phenylsulfonyl)-, AK-24550, 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine, 1H-Pyrrolo[2,3-b]pyridine,3-bromo-1-(phenylsulfonyl)-, SCHEMBL1049380, CTK5F9324, DTXSID80670563, TZTSMNAZKFSLIC-UHFFFAOYSA-N, BCP14324, CS-B0526, ZX-RL003507, ANW-51500, N-Phenylsulfonyl-3-bromo-7-azandole, ZINC38538274, AKOS015835810, BS-2128, RP07725, SB14167, AJ-96291, BR-24550, OR310236, AB0027222, AX8159615, DB-002102, TR-027650, 4CH-008370, AM20061828, FT-0660619, ST24028414, W9035, 3-Bromo-1-(phenylsulfonyl)-7-azaindole, 96%, S-3728, A842459, J-523760, 1-benzenesulfonyl-3-bromo-1H-pyrrolo[2,3-b]pyridine, 3-bromanyl-1-(phenylsulfonyl)pyrrolo[2,3-b]pyridine, 3-Bromo-1-phenylsulfonyl-1H-pyrrolo[2,3-b]pyridine, 3-Bromo-1-(phenylsulfonyl);-1H-pyrrolo[2,3-b]pyridine, C13H9BrN2O2S, 1- -3-bromo-1H-pyrrolo[2,3-b]pyridine, N/A, 1953-54-4,

Complexity	417
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	335.957g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	337.191g/mol
Monoisotopic Mass	335.957g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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