AG00FBFE

72521-00-7 | 6-NITRO-5-METHYL (1H)INDAZOLE

AG00FBFE

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CAS Number	72521-00-7
Catalog Number	AG00FBFE(AGN-PC-0NJPKE)
Chemical Name	6-NITRO-5-METHYL (1H)INDAZOLE
IUPAC Name	5-methyl-6-nitro-1H-indazole
InChI	InChI=1S/C8H7N3O2/c1-5-2-6-4-9-10-7(6)3-8(5)11(12)13/h2-4H,1H3,(H,9,10)
InChI Key	AZWAXIMNWVYSMP-UHFFFAOYSA-N
MDL Number	MFCD09026996
Molecular Formula	C8H7N3O2
Molecular Weight	177.1601
SMILES	O=[N+](C1=CC2=C(C=C1C)C=NN2)[O-]
Synonyms	5-methyl-6-nitro-1H-indazole, 72521-00-7, 5-Methyl-6-nitroindazole, 1H-Indazole, 5-methyl-6-nitro-, 6-Nitro-5-methyl (1H)indazole, 6-NITRO-5-METHYL-1H-INDAZOLE, AK-29473, J-200181, 5-methyl-6-nitro-indazole, SCHEMBL1024276, CTK5D6350, DTXSID20505244, HID1935, AZWAXIMNWVYSMP-UHFFFAOYSA-N, KS-000005IB, FCH834479, MFCD09026996, ZINC14985795, AKOS005256366, CM-2196, CS-W022414, RP03048, 6-NITRO-5-METHYL-(1H)-iNDAZOLE, AC-25276, AJ-66436, DS-11131, SY047089, AX8109845, DB-074579, AM20041083, FT-0645481, ST24044883, Y9920, MFCD09026996 (97%), W-2990, C8H7N3O2, 1H-Indazole,5-methyl-6-nitro-,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.163g/mol
Monoisotopic Mass	177.054g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

Lot Number