AG003AXU

79080-31-2 | 1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole

AG003AXU

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CAS Number	79080-31-2
Catalog Number	AG003AXU(AGN-PC-0NK4D8)
Chemical Name	1,5-Dimethyl-3-(trifluoromethyl)-1H-pyrazole
IUPAC Name	1,5-dimethyl-3-(trifluoromethyl)pyrazole
InChI	InChI=1S/C6H7F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h3H,1-2H3
InChI Key	LGTRXZPAYGKNLP-UHFFFAOYSA-N
MDL Number	MFCD04972844
Molecular Formula	C6H7F3N2
Molecular Weight	164.1284
SMILES	FC(C1=NN(C)C(C)=C1)(F)F
Synonyms	79080-31-2, 1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole, 1,5-dimethyl-3-(trifluoromethyl)pyrazole, 1,5-Dimethyl-3-trifluoromethyl-1H-pyrazole, 1H-Pyrazole, 1,5-dimethyl-3-(trifluoromethyl)-, SCHEMBL3279759, CTK5E6429, DTXSID80508791, LGTRXZPAYGKNLP-UHFFFAOYSA-N, ZINC2540292, KM1955, MFCD04972844, SBB024716, STK351676, AKOS005167667, 1,5-dimethyl-3-trifluoromethylpyrazole, LS20820, MCULE-2877520741, KS-000011C9, AJ-39054, AM808069, TS-02185, DB-023457, 4CH-000489, D5071, FT-0694322, ST24036881, ST45127892, V7780, 3-(trifluoromethyl)-1,5-dimethyl-1H-pyrazole, 1H-Pyrazole,1,5-dimethyl-3-(trifluoromethyl)-, A839575, C6H7F3N2, ACN-046591, 1,5-DIMETHYL-3- -1H-PYRAZOLE,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.056g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.131g/mol
Monoisotopic Mass	164.056g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	17.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1760

Certificate of Analysis

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