AG00ELV7

65190-36-5 | 4-NITRO-2H-PYRAZOLE-3-CARBOXAMIDE

AG00ELV7

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CAS Number	65190-36-5
Catalog Number	AG00ELV7(AGN-PC-0OF4HM)
Chemical Name	4-NITRO-2H-PYRAZOLE-3-CARBOXAMIDE
IUPAC Name	4-nitro-1H-pyrazole-5-carboxamide
InChI	InChI=1S/C4H4N4O3/c5-4(9)3-2(8(10)11)1-6-7-3/h1H,(H2,5,9)(H,6,7)
InChI Key	SVHOGXCJBBYKOT-UHFFFAOYSA-N
MDL Number	MFCD00475940
Molecular Formula	C4H4N4O3
Molecular Weight	156.0996
SMILES	O=C(C1=NNC=C1[N+]([O-])=O)N
Synonyms	4-Nitro-1H-pyrazole-3-carboxamide, 4-Nitro-1H-pyrazole-5-carboxamide, 65190-36-5, 4-nitropyrazole-3-carboxamide, 1092683-07-2, SVHOGXCJBBYKOT-UHFFFAOYSA-N, 4-NITRO-2H-PYRAZOLE-3-CARBOXAMIDE, ZERO/001519, AC1LBTKF, Oprea1_625776, Oprea1_674383, SCHEMBL3116767, SCHEMBL14357511, CTK1J8311, 4-nitro-1H-5-pyrazolecarboxamide, Pyrazole-3-carboxamide, 4-nitro-, ALBB-008661, ZINC5127885, MFCD00475940, SBB001747, STK505481, 4-Nitro-1H-pyrazole-3-carboxamide #, AKOS003725956, AKOS006272800, AKOS025395026, AB06279, MCULE-8030915739, NE45833, AJ-53210, ST069517, TR-060707, 4CH-004104, BB 0256890, R3545, Z1723418885, CID541972,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.028g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	156.101g/mol
Monoisotopic Mass	156.028g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	118A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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