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Home > Fluorides > 119868-25-6
119868-25-6 | 1H-Pyrazol-4-ol, 5-methyl-1-phenyl-3-(trifluoromethyl)-
CAS No: 119868-25-6 Catalog No: AG000PSU MDL No:MFCD03426594
Product Description
Catalog Number:
AG000PSU
Chemical Name:
1H-Pyrazol-4-ol, 5-methyl-1-phenyl-3-(trifluoromethyl)-
CAS Number:
119868-25-6
Molecular Formula:
C11H9F3N2O
Molecular Weight:
242.1972
MDL Number:
MFCD03426594
IUPAC Name:
5-methyl-1-phenyl-3-(trifluoromethyl)pyrazol-4-ol
InChI:
InChI=1S/C11H9F3N2O/c1-7-9(17)10(11(12,13)14)15-16(7)8-5-3-2-4-6-8/h2-6,17H,1H3
InChI Key:
YOHTWWBAMZHHLC-UHFFFAOYSA-N
SMILES:
Oc1c(C)n(nc1C(F)(F)F)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.201g/mol
Monoisotopic Mass:
242.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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