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820260-99-9 | Phosphonic acid, phenyl-, 2-(ethylthio)ethyl methyl ester
CAS No: 820260-99-9 Catalog No: AG004XIW MDL No:
Product Description
Catalog Number:
AG004XIW
Chemical Name:
Phosphonic acid, phenyl-, 2-(ethylthio)ethyl methyl ester
CAS Number:
820260-99-9
Molecular Formula:
C11H17O3PS
Molecular Weight:
260.2896
IUPAC Name:
[2-ethylsulfanylethoxy(methoxy)phosphoryl]benzene
InChI:
InChI=1S/C11H17O3PS/c1-3-16-10-9-14-15(12,13-2)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChI Key:
GDECDRIKVMPGON-UHFFFAOYSA-N
SMILES:
CCSCCOP(=O)(c1ccccc1)OC
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.288g/mol
Monoisotopic Mass:
260.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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