AG00C6L8

42098-25-9 | 5-Chloro-1-methyl-4-nitro-1H-pyrazole

AG00C6L8

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CAS Number	42098-25-9
Catalog Number	AG00C6L8(AGN-PC-0WBRRL)
Chemical Name	5-Chloro-1-methyl-4-nitro-1H-pyrazole
IUPAC Name	5-chloro-1-methyl-4-nitropyrazole
InChI	InChI=1S/C4H4ClN3O2/c1-7-4(5)3(2-6-7)8(9)10/h2H,1H3
InChI Key	POXLZEWCWNUVDW-UHFFFAOYSA-N
MDL Number	MFCD21607270
Molecular Formula	C4H4ClN3O2
Molecular Weight	161.5465
SMILES	O=[N+](C1=C(Cl)N(C)N=C1)[O-]
Synonyms	5-chloro-1-Methyl-4-nitro-1H-pyrazole, 42098-25-9, 5-chloro-1-methyl-4-nitropyrazole, 5-chloro-1-methyl-4-nitro-pyrazole, AK118789, SCHEMBL2521727, DTXSID70492670, POXLZEWCWNUVDW-UHFFFAOYSA-N, QC-96, BCP15591, CS-B1287, KS-00001AP5, ZX-RL003834, 3-chloro-2-methyl-4-nitro-pyrazole, MFCD21607270, ZINC72319629, AKOS016000438, DS-5402, FCH1564488, AM806567, OR302127, 1H-Pyrazole, 5-chloro-1-methyl-4-nitro-, AB0032263, AJ-120984, AX8244205, 4CH-022141, ST24044582, X5554, X-1925, C4H4ClN3O2, ACN-001236, 1H-Pyrazole,5-chloro-1-methyl-4-nitro-, 5-Chloro-1-methyl-4-nitro-1H-pyrazole, 95% - 1G 1g,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.999g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.545g/mol
Monoisotopic Mass	160.999g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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