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1549-45-7 | Acetic acid, 2,2,2-trifluoro-, cyclohexyl ester
CAS No: 1549-45-7 Catalog No: AG001NH4 MDL No:
Product Description
Catalog Number:
AG001NH4
Chemical Name:
Acetic acid, 2,2,2-trifluoro-, cyclohexyl ester
CAS Number:
1549-45-7
Molecular Formula:
C8H11F3O2
Molecular Weight:
196.1669
IUPAC Name:
cyclohexyl 2,2,2-trifluoroacetate
InChI:
InChI=1S/C8H11F3O2/c9-8(10,11)7(12)13-6-4-2-1-3-5-6/h6H,1-5H2
InChI Key:
MJNDVDVTLSBDLB-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)OC1CCCCC1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.169g/mol
Monoisotopic Mass:
196.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Radical and non-radical mechanisms for alkane oxidations by hydrogen peroxide-trifluoroacetic acid. | The Journal of organic chemistry 20010209 |
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