AG00CIUG

400755-41-1 | 1H-Pyrazole,3-methoxy-4-nitro-(9CI)

AG00CIUG

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CAS Number	400755-41-1
Catalog Number	AG00CIUG(AGN-PC-0O9YI9)
Chemical Name	1H-Pyrazole,3-methoxy-4-nitro-(9CI)
IUPAC Name	5-methoxy-4-nitro-1H-pyrazole
InChI	InChI=1S/C4H5N3O3/c1-10-4-3(7(8)9)2-5-6-4/h2H,1H3,(H,5,6)
InChI Key	GLNYWXCDHONDOZ-UHFFFAOYSA-N
MDL Number	MFCD03419421
Molecular Formula	C4H5N3O3
Molecular Weight	143.1008
SMILES	O=[N+](C1=CNN=C1OC)[O-]
Synonyms	3-methoxy-4-nitro-1H-pyrazole, 400755-41-1, 5-methoxy-4-nitro-1H-pyrazole, 5-methoxy-4-nitropyrazole, 3-Methoxy-4-nitropyrazole, 1H-Pyrazole,3-methoxy-4-nitro-(9CI), GLNYWXCDHONDOZ-UHFFFAOYSA-N, 1H-Pyrazole, 3-methoxy-4-nitro-, AK-88256, AC1N54AN, SCHEMBL672278, SCHEMBL17837175, CTK7B1953, KS-00000PYJ, DTXSID50400152, 1H-Pyrazole, 5-methoxy-4-nitro-, BCP24346, ZINC5940147, 5311AB, ANW-63169, BBL015984, FCH917172, MFCD03419421, SBB014535, STK301625, AKOS000307897, AKOS015922229, AKOS016347575, CS-W018818, MCULE-9381739275, AJ-55275, DS-18447, AX8229170, ST2410756, ST4140227, TC-151914, 4CH-016658, BB 0261799, H2690, EN300-228298, A821640, C4H5N3O3, 3-methoxy-4-nitro-2H-pyrazole, CID4165828, 1H-Pyrazole, 3-methoxy-4-nitro- (9CI), 3316-24-3,

Complexity	134
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.033g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.102g/mol
Monoisotopic Mass	143.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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