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114496-49-0 | Phosphonic acid, [[4-(phenylsulfonyl)phenyl]methyl]- (9CI)
CAS No: 114496-49-0 Catalog No: AG000EK7 MDL No:
Product Description
Catalog Number:
AG000EK7
Chemical Name:
Phosphonic acid, [[4-(phenylsulfonyl)phenyl]methyl]- (9CI)
CAS Number:
114496-49-0
Molecular Formula:
C13H13O5PS
Molecular Weight:
312.2781
IUPAC Name:
[4-(benzenesulfonyl)phenyl]methylphosphonic acid
InChI:
InChI=1S/C13H13O5PS/c14-19(15,16)10-11-6-8-13(9-7-11)20(17,18)12-4-2-1-3-5-12/h1-9H,10H2,(H2,14,15,16)
InChI Key:
BCFFHGVBUTYSHS-UHFFFAOYSA-N
SMILES:
OP(=O)(Cc1ccc(cc1)S(=O)(=O)c1ccccc1)O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.022g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.276g/mol
Monoisotopic Mass:
312.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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