AG003MY9

4027-54-7 | 5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE

AG003MY9

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CAS Number	4027-54-7
Catalog Number	AG003MY9(AGN-PC-0JTRP6)
Chemical Name	5-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLE
IUPAC Name	3-phenyl-5-(trifluoromethyl)-1H-pyrazole
InChI	InChI=1S/C10H7F3N2/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChI Key	KJKWJOAARUHGNU-UHFFFAOYSA-N
MDL Number	MFCD00764002
Molecular Formula	C10H7F3N2
Molecular Weight	212.1712
SMILES	FC(C1=NNC(C2=CC=CC=C2)=C1)(F)F
Synonyms	4027-54-7, 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole, 5-Phenyl-3-(trifluoromethyl)-1H-pyrazole, 5-phenyl-3-(trifluoromethyl)pyrazole, 3-Trifluoromethyl-5-(Phenyl)Pyrazole, 3-(trifluoromethyl)-5-(phenyl)pyrazole, 3-PHENYL-5-(TRIFLUOROMETHYL)PYRAZOLE, KJKWJOAARUHGNU-UHFFFAOYSA-N, 3-(trifluoromethyl)-5-phenylpyrazole, 3-(trifluoromethyl)-5-phenyl-1h-pyrazole, CDS1_004314, Pyrazole, 3-phenyl-5-(trifluoromethyl)-, AC1LD3AG, AC1Q4JHI, Maybridge1_002434, ACMC-1AD4P, CBMicro_023898, AC1Q4IV6, MixCom6_000922, DivK1c_001186, DivK1c_005354, SCHEMBL239535, SCHEMBL14624000, CTK4I2787, CTK7B6452, HMS548G14, DTXSID40346333, 3-phenyl-5-trifluoromethylpyrazole, KS-000013DE, ANW-29348, BBL034791, CCG-10825, MFCD00156064, SBB040008, STL419943, ZINC14808443, AKOS000271281, AKOS002662827, MCULE-5455641303, MS-7446, 5-Phenyl-3-trifluoromethyl-1H-pyrazole, CDS1_000146, AJ-65454, AJ-65455, 3-phenyl-5-(trifluoromethyl)-2H-pyrazole, 5-(Trifluoromethyl)-3-phenyl-1H-pyrazole, BIM-0023783.P001, 1H-Pyrazole,3-phenyl-5-(trifluoromethyl)-, DB-069981, FT-0646192, P1756, ST50213028, 3-Phenyl-5-(trifluoromethyl)-1H-pyrazole #, A-7323, A825023, SR-01000212352, SR-01000212352-1, I14-106020, 5-PHENYL-3- PYRAZOLE, CID611322, 5(3)-Phenyl-3(5)-(trifluoromethyl)pyrazole 100g,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.056g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.175g/mol
Monoisotopic Mass	212.056g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number