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139278-57-2 | Phosphonic acid, P-[[4-(methylsulfonyl)phenyl]methyl]-, dimethyl ester
CAS No: 139278-57-2 Catalog No: AG001AMP MDL No:
Product Description
Catalog Number:
AG001AMP
Chemical Name:
Phosphonic acid, P-[[4-(methylsulfonyl)phenyl]methyl]-, dimethyl ester
CAS Number:
139278-57-2
Molecular Formula:
C10H15O5PS
Molecular Weight:
278.2619
IUPAC Name:
1-(dimethoxyphosphorylmethyl)-4-methylsulfonylbenzene
InChI:
InChI=1S/C10H15O5PS/c1-14-16(11,15-2)8-9-4-6-10(7-5-9)17(3,12)13/h4-7H,8H2,1-3H3
InChI Key:
URHOEDXYVXKGKY-UHFFFAOYSA-N
SMILES:
COP(=O)(Cc1ccc(cc1)S(=O)(=O)C)OC
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.259g/mol
Monoisotopic Mass:
278.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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