AG00IJS6

96145-98-1 | 1H-Pyrazol-5-ol, 1-phenyl-3-(trifluoromethyl)-

AG00IJS6

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CAS Number	96145-98-1
Catalog Number	AG00IJS6(AGN-PC-0OOB69)
Chemical Name	1H-Pyrazol-5-ol, 1-phenyl-3-(trifluoromethyl)-
IUPAC Name	2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
InChI	InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,14H
InChI Key	PSQCMVQGPMFFCX-UHFFFAOYSA-N
MDL Number	MFCD03714773
Molecular Formula	C10H7F3N2O
Molecular Weight	228.1706
SMILES	C1(=CC=CC=C1)[N]2C(=CC(=N2)C(F)(F)F)O
Synonyms	1-phenyl-3-trifluoromethyl-5-hydroxypyrazole, 1-phenyl-3FMeHP, PTMHP cpd, 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol, 96145-98-1, 5-Hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazole, 1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, AK-26476, 2-phenyl-5-(trifluoromethyl)pyrazol-3-ol, 5-hydroxy-1-phenyl-3-trifluoromethylpyrazole, 1-phenyl-3-[trifluoromethyl]-1h-pyrazol-5-ol, AC1LHTAG, Maybridge1_004315, 2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one, 1H-Pyrazol-5-ol, 1-phenyl-3-(trifluoromethyl)-, SCHEMBL486072, SCHEMBL537395, CTK5H8592, HMS553M05, KS-00000KTO, DTXSID60358397, CGMKIOXMUMZDAP-UHFFFAOYSA-N, PSQCMVQGPMFFCX-UHFFFAOYSA-N, HMS1590E01, ANW-51622, CCG-46714, MFCD03714773, SBB022284, STK312844, AKOS000310728, ZINC100004939, ZINC100219831, VZ25154, 1-phenyl-3-trifluoromethyl-5-pyrazolone, 1-phenyl-3-trifluoromethylpyrazol-5-one, AC-26699, AJ-50752, BR-26476, CJ-11944, CS-10775, PC401047, 1-phenyl-3-(trifluoromethyl)pyrazol-5-ol, AB0002300, AX8035520, BC1159342, ST2410196, TL8006005, TR-030124, 1-phenyl-3-trifluoromethyl-1H-pyrazol-5-ol, 1-phenyl-3-trifluoromethyl-5-hydroxypyrazole, 4CH-013705, CS-0040063, FT-0649241, EN300-229754, S-3036, 1H-Pyrazol-5-ol,1-phenyl-3-(trifluoromethyl)-, 145P981, SR-01000253389, SR-01000253389-1, SR-01000636391-1, 1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5(2H)-one, I14-60187, 2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, C10H7F3N2O, CID892717, ZINC00468809, R152, 3-trifluoromethyl-1-phenyl-1H-pyrazol-5(4H)-one, 321-07-3, 781-93-1,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.051g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.174g/mol
Monoisotopic Mass	228.051g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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