AG00C2EN

219986-64-8 | 5-(Trifluoromethyl)-3-p-tolyl-1H-pyrazole

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CAS Number	219986-64-8
Catalog Number	AG00C2EN(AGN-PC-0L6IDA)
Chemical Name	5-(Trifluoromethyl)-3-p-tolyl-1H-pyrazole
IUPAC Name	3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C11H9F3N2/c1-7-2-4-8(5-3-7)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChI Key	NQEFIPVOJGJVRG-UHFFFAOYSA-N
MDL Number	MFCD03934062
Molecular Formula	C11H9F3N2
Molecular Weight	226.1978
SMILES	FC(C1=CC(C2=CC=C(C)C=C2)=NN1)(F)F
Synonyms	219986-64-8, 3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole, 3-(Trifluoromethyl)-5-p-tolyl-1H-pyrazole, 3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole, 3-(p-Tolyl)-5-(trifluoromethyl)-1H-pyrazole, 26974-15-2, 5-(TRIFLUOROMETHYL)-3-P-TOLYL-1H-PYRAZOLE, 5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazole, 5-(P-methylphenyl)-3-(trifluoromethyl)-1H-Pyrazole, 1H-Pyrazole, 3-(4-methylphenyl)-5-(trifluoromethyl)-, 948293-46-7, AC1N56UQ, SCHEMBL5352040, CTK0J6904, DTXSID10400173, NQEFIPVOJGJVRG-UHFFFAOYSA-N, ZINC6694356, 5214AH, 5245AH, MFCD03934062, AKOS015950510, AKOS017343861, MCULE-9256630135, 5-(p-tolyl)-3-(trifluoromethyl)pyrazole, AJ-56692, AJ-56693, SC-27405, SY005287, 3-p-Tolyl-5-(trifluoromethyl)-1H-pyrazole, 3-trifluoromethyl-5-(p-tolyl)-1h pyrazole, 3-trifluoromethyl-5-(p-tolyl)-1h-pyrazole, 5-p-tolyl-3-(trifluoromethyl)-1H-pyrazole, AB1000417, AX8174128, DB-008250, DB-014183, TC-307222, FT-0711262, FT-0738803, MFCD03934062 (95%), A-7493, K-6237, 5-(4-methylphenyl)-3-trifluoromethyl-1h-pyrazole, J-016639, 5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazole, null, C11H9F3N2, CID4166967, 884494-57-9,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.072g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.202g/mol
Monoisotopic Mass	226.072g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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