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114968-97-7

114968-97-7 | Phosphonic acid, P-[fluoro(phenylsulfonyl)methyl]-, diethyl ester

CAS No: 114968-97-7 Catalog No: AG000FHR MDL No:

Product Description

Catalog Number:
AG000FHR
Chemical Name:
Phosphonic acid, P-[fluoro(phenylsulfonyl)methyl]-, diethyl ester
CAS Number:
114968-97-7
Molecular Formula:
C11H16FO5PS
Molecular Weight:
310.2789
IUPAC Name:
[diethoxyphosphoryl(fluoro)methyl]sulfonylbenzene
InChI:
InChI=1S/C11H16FO5PS/c1-3-16-18(13,17-4-2)11(12)19(14,15)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChI Key:
HUOWVYVTKZRXGM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(S(=O)(=O)c1ccccc1)F)OCC

Properties

Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.044g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.276g/mol
Monoisotopic Mass:
310.044g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Literature

Title Journal
Synthesis of quaternary amino acids bearing a (2'Z)-fluorovinyl alpha-branch: potential PLP enzyme inactivators. Organic letters 20040527
A convergent triflate displacement approach to (alpha-monofluoroalkyl)phosphonates. Organic letters 20010628

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