| CAS Number | 1306606-31-4 |
| Catalog Number | AG01AIAP |
| Chemical Name | 4-(Pyridin-4-yloxy)benzoic acid hydrochloride |
| IUPAC Name | 4-pyridin-4-yloxybenzoic acid;hydrochloride |
| InChI | InChI=1S/C12H9NO3.ClH/c14-12(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11;/h1-8H,(H,14,15);1H |
| InChI Key | BMZBULZHHXCCQU-UHFFFAOYSA-N |
| MDL Number | MFCD18838972 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | Cl.OC(C1=CC=C(OC2=CC=NC=C2)C=C1)=O |
| Synonyms | 4-(pyridin-4-yloxy)benzoic acid hydrochloride,
1306606-31-4,
AKOS008146781,
MCULE-6372116769,
NE19934,
EN300-77242,
Z1258519597,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.666g/mol |
| Monoisotopic Mass | 251.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number