AG00DIWQ

54210-32-1 | 1H-Pyrazole,1-methyl-3-nitro-(9CI)

AG00DIWQ

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CAS Number	54210-32-1
Catalog Number	AG00DIWQ(AGN-PC-0JMT2R)
Chemical Name	1H-Pyrazole,1-methyl-3-nitro-(9CI)
IUPAC Name	1-methyl-3-nitropyrazole
InChI	InChI=1S/C4H5N3O2/c1-6-3-2-4(5-6)7(8)9/h2-3H,1H3
InChI Key	KLAQNTBUXCCZHC-UHFFFAOYSA-N
MDL Number	MFCD03444368
Molecular Formula	C4H5N3O2
Molecular Weight	127.1014
SMILES	N(=O)(=O)c1nn(cc1)C
Synonyms	1-Methyl-3-nitro-1H-pyrazole, 54210-32-1, 1-Methyl-3-nitropyrazole, 1H-Pyrazole, 1-methyl-3-nitro-, 3-Nitro-1-methylpyrazole, 1-methyl-3-nitro-pyrazole, 1H-Pyrazole,1-methyl-3-nitro-(9CI), MFCD03444368, AC1L3MK0, SCHEMBL4184592, CTK5I4012, DTXSID40202561, KLAQNTBUXCCZHC-UHFFFAOYSA-N, 1-Methyl-3-nitro-1H-pyrazole #, ALBB-012575, KS-00001CJ3, ZINC4293945, ZX-AN011372, ZX-RL005892, 7794AB, ANW-53837, FCH830997, SBB019459, STK301658, AKOS000307946, AKOS015922239, MCULE-3807479268, WT82099, AJ-50408, AK-49882, AS-40901, OR307160, AB0091298, AX8162200, ST4148082, TR-039246, AM20020605, CS-0061746, FT-0691130, R7711, ST24027124, EN300-125844, A830036, I14-8446, C4H5N3O2, CID143144, ZINC04293945, 1H-Pyrazole, 1-methyl-3-nitro- (9CI),

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	0
Isotope Atom Count	0
Molecular Weight	127.103g/mol
Monoisotopic Mass	127.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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