AG000DBI

116855-00-6 | 1H-Pyrazolo[3,4-b]pyridine, 3-nitro-

AG000DBI

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CAS Number	116855-00-6
Catalog Number	AG000DBI(AGN-PC-000L2I)
Chemical Name	1H-Pyrazolo[3,4-b]pyridine, 3-nitro-
IUPAC Name	3-nitro-2H-pyrazolo[3,4-b]pyridine
InChI	InChI=1S/C6H4N4O2/c11-10(12)6-4-2-1-3-7-5(4)8-9-6/h1-3H,(H,7,8,9)
InChI Key	BAUHQAOOAIVBTO-UHFFFAOYSA-N
MDL Number	MFCD11867861
Molecular Formula	C6H4N4O2
Molecular Weight	164.1216
SMILES	O=[N+](C1=NNC2=NC=CC=C21)[O-]
Synonyms	3-Nitro-1H-pyrazolo[3,4-b]pyridine, 116855-00-6, 3-NITRO-1H-PYRAZOLO[3,4-B]PYRIDIN, 3-Nitro-7-aza-1H-indazole, SCHEMBL3790051, CTK8B4966, DTXSID20556418, ANW-46858, MFCD11867861, TD8029, ZINC66322757, AKOS015909652, FCH1156962, PB22574, RP22680, 1H-Pyrazolo[3,4-b]pyridine,3-nitro-, AC-28041, AK-40051, AS-54707, AX8212342, TC-135603, 4CH-010410, CS-0030470, FT-0688009, ST24022966, X9181, C-2340, 1H-PYRAZOLO[3,4-B]PYRIDINE, 3-NITRO-, J-512958, I14-32317, C6H4N4O2, ACN-051809, 3-Nitro-1H-pyrazolo[3,4-b]pyridine, 97% - 1G 1g,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.033g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.124g/mol
Monoisotopic Mass	164.033g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	87.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

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