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86517-46-6

86517-46-6 | Phosphonic acid, [2-(phenylsulfinyl)ethyl]-, diethyl ester

CAS No: 86517-46-6 Catalog No: AG004PT5 MDL No:

Product Description

Catalog Number:
AG004PT5
Chemical Name:
Phosphonic acid, [2-(phenylsulfinyl)ethyl]-, diethyl ester
CAS Number:
86517-46-6
Molecular Formula:
C12H19O4PS
Molecular Weight:
290.3156
IUPAC Name:
2-diethoxyphosphorylethylsulfinylbenzene
InChI:
InChI=1S/C12H19O4PS/c1-3-15-17(13,16-4-2)10-11-18(14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChI Key:
WQEJXGCTDTZGBY-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)CCS(=O)c1ccccc1

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.074g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.314g/mol
Monoisotopic Mass:
290.074g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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