AG0037AS

38858-90-1 | 4-Methyl-3-nitro-1H-pyrazole

AG0037AS

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CAS Number	38858-90-1
Catalog Number	AG0037AS(AGN-PC-0O9PYB)
Chemical Name	4-Methyl-3-nitro-1H-pyrazole
IUPAC Name	4-methyl-5-nitro-1H-pyrazole
InChI	InChI=1S/C4H5N3O2/c1-3-2-5-6-4(3)7(8)9/h2H,1H3,(H,5,6)
InChI Key	AGGNMPUDFUROJT-UHFFFAOYSA-N
MDL Number	MFCD09701703
Molecular Formula	C4H5N3O2
Molecular Weight	127.1014
SMILES	O=[N+](C1=NNC=C1C)[O-]
Synonyms	4-Methyl-3-nitro-1H-pyrazole, 38858-90-1, 4-Methyl-5-nitro-1H-pyrazole, 4-Methyl-3-nitropyrazole, 1H-Pyrazole, 4-methyl-3-nitro-, 1h-pyrazole, 4-methyl-5-nitro-, methylnitropyrazole, AC1LCBAP, 4-methyl-3-nitro-2H-pyrazole, 3-Nitro-4-methyl-1H-pyrazole, SCHEMBL10400456, CTK1A8725, CTK5I1887, DTXSID60341486, AGGNMPUDFUROJT-UHFFFAOYSA-N, 4-Methyl-3-nitro-1H-pyrazole #, ALBB-016313, BCP25309, ZINC9356400, 2299AE, BBL008543, MFCD08685901, SBB025121, STK263692, AKOS002656971, AKOS005168001, AKOS015922457, AKOS025395258, CS-W007043, DS-7330, MCULE-7183663883, AJ-59538, AK161464, SC-49516, AB0149291, FT-0672012, ST24043896, ST45134355, T0316, F10017, C4H5N3O2, CID573422,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.038g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.103g/mol
Monoisotopic Mass	127.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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