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Home > Fluorides > 119868-24-5
119868-24-5 | 1H-Pyrazol-4-ol, 1-phenyl-3-(trifluoromethyl)-
CAS No: 119868-24-5 Catalog No: AG000PSV MDL No:MFCD02327419
Product Description
Catalog Number:
AG000PSV
Chemical Name:
1H-Pyrazol-4-ol, 1-phenyl-3-(trifluoromethyl)-
CAS Number:
119868-24-5
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
MDL Number:
MFCD02327419
IUPAC Name:
1-phenyl-3-(trifluoromethyl)pyrazol-4-ol
InChI:
InChI=1S/C10H7F3N2O/c11-10(12,13)9-8(16)6-15(14-9)7-4-2-1-3-5-7/h1-6,16H
InChI Key:
ZHCWJNLQJDKCMO-UHFFFAOYSA-N
SMILES:
Oc1cn(nc1C(F)(F)F)c1ccccc1
Properties
Complexity:
241
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:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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