AG00IF6T

885520-77-4 | 4-Methyl-6-nitro-1H-indazole

AG00IF6T

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CAS Number	885520-77-4
Catalog Number	AG00IF6T(AGN-PC-04Q5N5)
Chemical Name	4-Methyl-6-nitro-1H-indazole
IUPAC Name	4-methyl-6-nitro-1H-indazole
InChI	InChI=1S/C8H7N3O2/c1-5-2-6(11(12)13)3-8-7(5)4-9-10-8/h2-4H,1H3,(H,9,10)
InChI Key	LOUROJHPRPDTSO-UHFFFAOYSA-N
MDL Number	MFCD07781465
Molecular Formula	C8H7N3O2
Molecular Weight	177.1601
SMILES	O=[N+](C1=CC2=C(C(C)=C1)C=NN2)[O-]
Synonyms	4-methyl-6-nitro-1H-indazole, 885520-77-4, 1H-Indazole, 4-methyl-6-nitro-, 6-nitro-4-methylindazole, SCHEMBL2144703, 1h-indazole,4-methyl-6-nitro-, 4-Methyl-6-nitro (1H)indazole, LOUROJHPRPDTSO-UHFFFAOYSA-N, FCH857280, ZINC14984627, AKOS006286634, AJ-66178, AK158071, DA-01830, AX8291981, FT-0727569, ST24043906, EN300-156764, W-3306,

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

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