| CAS Number | 1000340-09-9 |
| Catalog Number | AG00H94L |
| Chemical Name | 4-(Pyridin-3-yloxy)benzenesulfonic acid |
| IUPAC Name | 4-pyridin-3-yloxybenzenesulfonic acid |
| InChI | InChI=1S/C11H9NO4S/c13-17(14,15)11-5-3-9(4-6-11)16-10-2-1-7-12-8-10/h1-8H,(H,13,14,15) |
| InChI Key | XKUSGPLCKNQLQH-UHFFFAOYSA-N |
| MDL Number | MFCD09910428 |
| Molecular Formula | C11H9NO4S |
| Molecular Weight | 251.2585 |
| SMILES | OS(=O)(=O)C1=CC=C(OC2=CC=CN=C2)C=C1 |
| Synonyms | 4-(PYRIDIN-3-YLOXY)BENZENESULFONIC ACID,
1000340-09-9,
CTK8A6985,
AR3560,
MFCD09910428,
ZINC35287439,
AS-45636,
|
| Complexity | 330 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number