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39634-42-9 | 4-(4-(Trifluoromethyl);phenoxy);phenol
CAS No: 39634-42-9 Catalog No: AG003KLA MDL No:MFCD00192527
Product Description
Catalog Number:
AG003KLA
Chemical Name:
4-(4-(Trifluoromethyl);phenoxy);phenol
CAS Number:
39634-42-9
Molecular Formula:
C13H9F3O2
Molecular Weight:
254.2046
MDL Number:
MFCD00192527
IUPAC Name:
4-[4-(trifluoromethyl)phenoxy]phenol
InChI:
InChI=1S/C13H9F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8,17H
InChI Key:
FJFSSESWAFPCSU-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Oc1ccc(cc1)C(F)(F)F
EC Number:
254-549-8
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.208g/mol
Monoisotopic Mass:
254.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Laccase catalyzed covalent coupling of fluorophenols increases lignocellulose surface hydrophobicity. | Bioresource technology 20100401 |
| Dose-response regressions for algal growth and similar continuous endpoints: calculation of effective concentrations. | Environmental toxicology and chemistry 20090401 |
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