AG002TUQ

26621-44-3 | 1H-Pyrazole, 3-nitro-

AG002TUQ

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CAS Number	26621-44-3
Catalog Number	AG002TUQ(AGN-PC-0O8FSV)
Chemical Name	1H-Pyrazole, 3-nitro-
EC Number	640-509-0
IUPAC Name	5-nitro-1H-pyrazole
InChI	InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)
InChI Key	MZRUFMBFIKGOAL-UHFFFAOYSA-N
MDL Number	MFCD00159621
Molecular Formula	C3H3N3O2
Molecular Weight	113.0748
SMILES	O=[N+]([O-])c1n[nH]cc1
Synonyms	3-nitropyrazole, DJW 94, DJW-94, 3-Nitro-1H-pyrazole, 5-nitro-1H-pyrazole, 26621-44-3, 3-Nitropyrazole, 1H-Pyrazole, 3-nitro-, nitropyrazole, Pyrazole, 3-nitro-, 3-nitro-2H-pyrazole, 5-NITRO-1H-PYRAZOL, MZRUFMBFIKGOAL-UHFFFAOYSA-N, 3-Nitro-1H-pyrazole, 97%, Djw 94, Djw-94, 5-nitropyrazole, 3-nitropyrazol, aci-nitropyrazole, 3-Nitro-pyrazole, 3-nitro-, PubChem8639, 3-nitro-(1H)pyrazole, AC1L3WJM, AC1Q1GUD, SCHEMBL938, KSC204C6T, AC1Q1Y45, SCHEMBL13011421, CTK1A4169, CTK5I4042, DTXSID20181168, 3-Nitro-1H-pyrazole, AldrichCPR, ACN-S003289, ACT03772, ALBB-004466, BCP10030, EBD40342, ANW-50797, BBL013032, CN-510, MFCD00238787, SBB000026, STK263688, ZINC95908461, AKOS000307940, AKOS005424497, CS-W002457, LS20161, MCULE-3222467123, PS-4339, RP19035, RS-0374, RTR-012045, TRA0001219, WT82287, KS-0000020E, AK-27124, BR-27124, EN003122, SC-03015, ST005625, SY009101, AB0028186, DB-002066, ST2410814, TC-139542, TR-012045, A5253, AM20090327, BB 0218123, BB 0257637, FT-0648298, N0937, T8457, X0233, EN300-43788, C-5708, MFCD00159621 (97+%), 159N621, 181861-EP2274983A1, W-202132, C3H3N3O2, 1H-Pyrazole, 3-nitro- (9CI), C3-H3-N3-O2, AR-1F4614, CID123419, ACN-032170, 27511-35-9,

Complexity	99.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.023g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	113.076g/mol
Monoisotopic Mass	113.023g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number