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444-30-4 | 2-(Trifluoromethyl)phenol
CAS No: 444-30-4 Catalog No: AG003NR7 MDL No:MFCD00002222
Product Description
Catalog Number:
AG003NR7
Chemical Name:
2-(Trifluoromethyl)phenol
CAS Number:
444-30-4
Molecular Formula:
C7H5F3O
Molecular Weight:
162.1092
MDL Number:
MFCD00002222
IUPAC Name:
2-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H5F3O/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4,11H
InChI Key:
ZOQOPXVJANRGJZ-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C(F)(F)F
EC Number:
207-148-7
NSC Number:
88333
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:
2.8
Literature
| Title | Journal |
|---|---|
| Infrared-optical double resonance spectroscopic investigation of trifluoromethylphenols and their water complexes. | The journal of physical chemistry. A 20120705 |
| Mild hydrolysis of 2-trifluoromethylphenol: kinetics, mechanism and environmental relevance. | Chemosphere 20061001 |
| 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 |
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