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98-17-9 | 3-(Trifluoromethyl)phenol
CAS No: 98-17-9 Catalog No: AG003IB0 MDL No:MFCD00002299
Product Description
Catalog Number:
AG003IB0
Chemical Name:
3-(Trifluoromethyl)phenol
CAS Number:
98-17-9
Molecular Formula:
C7H5F3O
Molecular Weight:
162.1092
MDL Number:
MFCD00002299
IUPAC Name:
3-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChI Key:
UGEJOEBBMPOJMT-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C(F)(F)F
EC Number:
202-645-5
NSC Number:
9884
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.029g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.111g/mol
Monoisotopic Mass:
162.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Infrared-optical double resonance spectroscopic investigation of trifluoromethylphenols and their water complexes. | The journal of physical chemistry. A 20120705 |
| Does activation of the anti proton, rather than concertedness, determine the stereochemistry of base-catalyzed 1,2-elimination reactions? Anti stereospecificity in E1cB eliminations of β-3-trifluoromethylphenoxy esters, thioesters, and ketones. | The Journal of organic chemistry 20120316 |
| Callus cultures for phytometabolism studies: phytometabolites of 3-trifluoromethylphenol in Lemnaceae plants and callus cultures. | International journal of phytoremediation 20110801 |
| Development and application of oxygen production rate assessment to uptake of fluorinated organics by Lemna minor. | Environmental toxicology and chemistry 20061101 |
| Kinetic study of the oxidation of phenolic derivatives of alpha,alpha,alpha-trifluorotoluene by singlet molecular oxygen [O2(1delta(g)) and hydrogen phosphate radicals. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20030801 |
| Determination of travoprost and travoprost free acid in human plasma by electrospray HPLC/MS/MS. | Journal of pharmaceutical and biomedical analysis 20020415 |
| Use of selective inhibitors and chromogenic substrates to differentiate bacteria based on toluene oxygenase activity. | Journal of microbiological methods 20010901 |
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