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Home > Fluorides > 162054-19-5
162054-19-5 | 1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-
CAS No: 162054-19-5 Catalog No: AG001SON MDL No:MFCD00930300
Product Description
Catalog Number:
AG001SON
Chemical Name:
1H-Pyrazole, 5-(4-fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-
CAS Number:
162054-19-5
Molecular Formula:
C17H12F4N2O2S
Molecular Weight:
384.3480
MDL Number:
MFCD00930300
IUPAC Name:
5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
InChI Key:
JHBIMJKLBUMNAU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc(nn1c1ccc(cc1)S(=O)(=O)C)C(F)(F)F
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.056g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.349g/mol
Monoisotopic Mass:
384.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
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