AG000HRH

1190317-45-3 | 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 5-bromo-

AG000HRH

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CAS Number	1190317-45-3
Catalog Number	AG000HRH(AGN-PC-09RUVH)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile, 5-bromo-
IUPAC Name	5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
InChI	InChI=1S/C8H4BrN3/c9-6-3-5-1-2-11-8(5)12-7(6)4-10/h1-3H,(H,11,12)
InChI Key	KSUFULNLPSLSMF-UHFFFAOYSA-N
MDL Number	MFCD12962874
Molecular Formula	C8H4BrN3
Molecular Weight	222.0415
SMILES	N#CC1=C(Br)C=C2C(NC=C2)=N1
Synonyms	1190317-45-3, 5-Bromo-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile, 5-BROMO-6-CYANO-7-AZAINDOLE, AK-59550, CTK4B1029, DTXSID70696636, ANW-46015, MFCD12962874, ZINC44712753, AKOS015998733, CB-3692, DS-1856, FCH1378786, PB22659, QC-2898, KS-00000P24, SC-53046, AB0035080, AJ-110003, AX8217070, ST2411752, TX-013240, 4CH-000098, X9351, Q-2882, 1H-PYRROLO[2,3-B]PYRIDINE-6-CARBONITRILE, 5-BROMO-, C8H4BrN3,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.045g/mol
Monoisotopic Mass	220.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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