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500-73-2 | PHENYL TRIFLUOROACETATE
CAS No: 500-73-2 Catalog No: AG003TPF MDL No:MFCD00039232
Product Description
Catalog Number:
AG003TPF
Chemical Name:
PHENYL TRIFLUOROACETATE
CAS Number:
500-73-2
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD00039232
IUPAC Name:
phenyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C8H5F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h1-5H
InChI Key:
DVCMYAIUSOSIQP-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Oc1ccccc1
EC Number:
207-911-4
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Ab initio study of the substituent effects on the relative stability of the E and Z conformers of phenyl esters. Stereoelectronic effects on the reactivity of the carbonyl group. | The journal of physical chemistry. A 20050721 |
| Changing mechanisms in the beta-cyclodextrin-mediated hydrolysis of phenyl esters of perfluoroalkanoic acids. | The Journal of organic chemistry 20030905 |
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