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87763-28-8 | Phosphonic acid, [1-(butylsulfinyl)-1-phenylethyl]-, diethyl ester
CAS No: 87763-28-8 Catalog No: AG004IDJ MDL No:
Product Description
Catalog Number:
AG004IDJ
Chemical Name:
Phosphonic acid, [1-(butylsulfinyl)-1-phenylethyl]-, diethyl ester
CAS Number:
87763-28-8
Molecular Formula:
C16H27O4PS
Molecular Weight:
346.4219
IUPAC Name:
(1-butylsulfinyl-1-diethoxyphosphorylethyl)benzene
InChI:
InChI=1S/C16H27O4PS/c1-5-8-14-22(18)16(4,15-12-10-9-11-13-15)21(17,19-6-2)20-7-3/h9-13H,5-8,14H2,1-4H3
InChI Key:
WQOZUYYPINAIJO-UHFFFAOYSA-N
SMILES:
CCCCS(=O)C(P(=O)(OCC)OCC)(c1ccccc1)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.422g/mol
Monoisotopic Mass:
346.137g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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