AG00BYY5

40621-84-9 | 3-methyl-5-nitro-1H-indazole

AG00BYY5

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CAS Number	40621-84-9
Catalog Number	AG00BYY5(AGN-PC-0OA5YW)
Chemical Name	3-methyl-5-nitro-1H-indazole
IUPAC Name	3-methyl-5-nitro-2H-indazole
InChI	InChI=1S/C8H7N3O2/c1-5-7-4-6(11(12)13)2-3-8(7)10-9-5/h2-4H,1H3,(H,9,10)
InChI Key	ZGDNJFXKELMVLS-UHFFFAOYSA-N
MDL Number	MFCD07082699
Molecular Formula	C8H7N3O2
Molecular Weight	177.1601
SMILES	O=[N+](C1=CC2=C(NN=C2C)C=C1)[O-]
Synonyms	3-methyl-5-nitro-1H-indazole, 40621-84-9, 3-methyl-5-nitro-2H-indazole, 1H-INDAZOLE, 3-METHYL-5-NITRO-, 1H-Indazole,3-methyl-5-nitro-, PubChem7824, 3-methyl-5-nitroindazole, SCHEMBL266008, CTK4I3451, DTXSID70459384, ZGDNJFXKELMVLS-UHFFFAOYSA-N, ANW-45128, MFCD07082699, ZINC37625902, AKOS006286037, AN-3170, CM-2066, DS-1331, MCULE-4419296810, PB14474, RP23858, AC-25181, AJ-94177, AK-27145, BR-27145, CJ-19085, AB0024778, DB-014310, ST1100597, TC-064513, 4CH-015620, A6788, CS-0019178, FT-0657713, W6117, S-6891, 621M849, I14-3854, J-512870, Z1438483408, C8H7N3O2, CID11229104, 3-methyl-5-nitro-1H-indazole, 95% - 1G 1g,

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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number