AG003LUE

5334-40-7 | 4-Nitro-1H-pyrazole-3-carboxylic acid

AG003LUE

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CAS Number	5334-40-7
Catalog Number	AG003LUE(AGN-PC-0OBVD9)
Chemical Name	4-Nitro-1H-pyrazole-3-carboxylic acid
IUPAC Name	4-nitro-1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C4H3N3O4/c8-4(9)3-2(7(10)11)1-5-6-3/h1H,(H,5,6)(H,8,9)
InChI Key	ZMAXXOYJWZZQBK-UHFFFAOYSA-N
MDL Number	MFCD00090899
Molecular Formula	C4H3N3O4
Molecular Weight	157.0843
NSC Number	1411
SMILES	[N+](=O)([O-])C=1C(=NNC1)C(=O)O
Synonyms	5334-40-7, 4-Nitro-1H-pyrazole-3-carboxylic acid, 4-Nitropyrazole-3-carboxylic acid, 4-Nitro-3-pyrazolecarboxylic acid, 4-nitro-1H-pyrazole-5-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 4-nitro-, ZMAXXOYJWZZQBK-UHFFFAOYSA-N, 4-nitro pyrazole-3-carboxylic acid, 4-Nitro-pyrazole-3-carboxylic acid, MFCD00090899, 4-nitro-2H-pyrazole-3-carboxylic acid, EC-000.1959, 4-(hydroxynitroso)-1h-pyrazole-3-carboxylic acid, 4-Nitro-3-pyrazolecarboxylic acid, 95%, NSC1411, nitropyrazolecarboxylic, AC1Q5AVJ, ACMC-209l6b, AC1L57EF, Oprea1_039897, Oprea1_448156, KSC274S8J, SCHEMBL182687, 4-Nitro-3-pyrazolecarboxylicacid, 4-nitro-pyrazole carboxylic acid, CTK1H4984, DTXSID30277268, 4-nitro-3-pyrazole carboxylic acid, AC1Q7267, AC1Q7488, AC1Q7489, ACN-S004059, ALBB-008644, CS-D1132, KS-000003OP, NSC 1411, NSC-1411, ZERO/001496, ZINC4552321, ANW-31713, BBL009853, CN-430, SBB001727, STK298621, STK801497, AKOS000265915, AKOS001476485, AKOS015955402, AC-4819, MCULE-8243923729, PB21667, RP22077, RTC-064619, TRA0001676, VP20165, 4-nitro-1h-pyrazol-3-ylcarboxylic acid, 1H-Pyrazole-3-carboxylicacid, 4-nitro-, 4-Nitro-3-pyrazolecarboxylic acid, 98%, AJ-51649, AK-28559, AN-11571, AS-15918, BR-28559, R342, SC-47904, ST005610, SY002453, 4-Nitro-1H-pyrazole-3-carboxylic acid #, AB0018114, AB1001364, LS-192568, ST2411567, TC-064619, 4CH-016004, AM20100308, EU-0084709, FT-0619195, H8319, EN300-68362, MFCD00090899 (98%), C-5101, 4-NITRO-PYRAZOLE-3(OR 5)-CARBOXYLIC ACID, SR-01000515451, I14-6402, J-515869, SR-01000515451-1, F0905-6463, VitasMLab, C4H3N3O4, 4-Nitropyrazole-3-carboxylicacid, AR-1G3897, CID219739, 4-nitro-1H-pyrazole-3-carboxylicacid, ACN-030158, C2236, 4-Nitro-3-pyrazolecarboxylic acid, 98% - 1G 1g, N/A, 5831-00-5,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	157.012g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	157.085g/mol
Monoisotopic Mass	157.012g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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

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