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Home > Fluorides > 119868-28-9
119868-28-9 | 1H-Pyrazol-4-ol, 1-(4-methylphenyl)-3-(trifluoromethyl)-
CAS No: 119868-28-9 Catalog No: AG000PST MDL No:
Product Description
Catalog Number:
AG000PST
Chemical Name:
1H-Pyrazol-4-ol, 1-(4-methylphenyl)-3-(trifluoromethyl)-
CAS Number:
119868-28-9
Molecular Formula:
C11H9F3N2O
Molecular Weight:
242.1972
IUPAC Name:
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-4-ol
InChI:
InChI=1S/C11H9F3N2O/c1-7-2-4-8(5-3-7)16-6-9(17)10(15-16)11(12,13)14/h2-6,17H,1H3
InChI Key:
WTMDQBOILGRZKI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cc(c(n1)C(F)(F)F)O
Properties
Complexity:
264
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:
2.8
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