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Home > Pyridines > 192329-80-9
192329-80-9 | Benzenesulfonic acid, 4-(4-pyridinyloxy)-
CAS No: 192329-80-9 Catalog No: AG002FUP MDL No:
Product Description
Catalog Number:
AG002FUP
Chemical Name:
Benzenesulfonic acid, 4-(4-pyridinyloxy)-
CAS Number:
192329-80-9
Molecular Formula:
C11H9NO4S
Molecular Weight:
251.2585
IUPAC Name:
4-pyridin-4-yloxybenzenesulfonic acid
InChI:
InChI=1S/C11H9NO4S/c13-17(14,15)11-3-1-9(2-4-11)16-10-5-7-12-8-6-10/h1-8H,(H,13,14,15)
InChI Key:
DXVIGUWDUVUVMI-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc(cc1)Oc1ccncc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.256g/mol
Monoisotopic Mass:
251.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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