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Home > Fluorides > 156748-67-3
156748-67-3 | Phosphonic acid, P-(2,2,2-trifluoro-1-hydroxyethyl)-, diethyl ester
CAS No: 156748-67-3 Catalog No: AG001OYJ MDL No:
Product Description
Catalog Number:
AG001OYJ
Chemical Name:
Phosphonic acid, P-(2,2,2-trifluoro-1-hydroxyethyl)-, diethyl ester
CAS Number:
156748-67-3
Molecular Formula:
C6H12F3O4P
Molecular Weight:
236.1261
IUPAC Name:
1-diethoxyphosphoryl-2,2,2-trifluoroethanol
InChI:
InChI=1S/C6H12F3O4P/c1-3-12-14(11,13-4-2)5(10)6(7,8)9/h5,10H,3-4H2,1-2H3
InChI Key:
ZVRKPNJLSIJXPF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C(F)(F)F)O)OCC
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.127g/mol
Monoisotopic Mass:
236.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Hydroperoxylation by hydroxyethylphosphonate dioxygenase. | Journal of the American Chemical Society 20091111 |
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