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Home > Fluorides > 122431-37-2
122431-37-2 | 1H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-
CAS No: 122431-37-2 Catalog No: AG001782 MDL No:MFCD00139833
Product Description
Catalog Number:
AG001782
Chemical Name:
1H-Pyrazol-5-ol, 1-methyl-3-(trifluoromethyl)-
CAS Number:
122431-37-2
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD00139833
IUPAC Name:
2-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
InChI:
InChI=1S/C5H5F3N2O/c1-10-4(11)2-3(9-10)5(6,7)8/h2,9H,1H3
InChI Key:
WQRHIGNAKDJJKN-UHFFFAOYSA-N
SMILES:
FC(c1cc(n(n1)C)O)(F)F
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| 1-Methyl-3-trifluoro-methyl-1H-pyrazol-5-ol. | Acta crystallographica. Section E, Structure reports online 20091001 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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