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2268-17-9 | 2,4,6-Trifluorophenol
CAS No: 2268-17-9 Catalog No: AG003B4D MDL No:MFCD00061216
Product Description
Catalog Number:
AG003B4D
Chemical Name:
2,4,6-Trifluorophenol
CAS Number:
2268-17-9
Molecular Formula:
C6H3F3O
Molecular Weight:
148.0826
MDL Number:
MFCD00061216
IUPAC Name:
2,4,6-trifluorophenol
InChI:
InChI=1S/C6H3F3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChI Key:
QQFWMPUXPLBWTG-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1)F)O
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.084g/mol
Monoisotopic Mass:
148.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Revisiting the peroxidase oxidation of 2,4,6-trihalophenols: ESR detection of radical intermediates. | Chemical research in toxicology 20111121 |
| Probing the oxyferrous and catalytically active ferryl states of Amphitrite ornata dehaloperoxidase by cryoreduction and EPR/ENDOR spectroscopy. Detection of compound I. | Journal of the American Chemical Society 20101027 |
| Binding of phenol and differently halogenated phenols to dissolved humic matter as measured by NMR spectroscopy. | Environmental science & technology 20090715 |
| Different modes of binding of mono-, di-, and trihalogenated phenols to the hemoglobin dehaloperoxidase from Amphitrite ornata. | Biochemistry 20090317 |
| Degradation of 4-fluorophenol by Arthrobacter sp. strain IF1. | Applied microbiology and biotechnology 20080301 |
| Synthesis and evaluation of 3-aryloxymethyl-1,2-dimethylindole-4,7-diones as mechanism-based inhibitors of NAD(P)H:quinone oxidoreductase 1 (NQO1) activity. | Journal of medicinal chemistry 20071115 |
| Development and evaluation of an immunoassay for biological monitoring chlorophenols in urine as potential indicators of occupational exposure. | Analytical chemistry 20020115 |
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