| CAS Number | 1803567-54-5 |
| Catalog Number | AG01B92O |
| Chemical Name | 2-(pyridin-4-yloxy)benzoic acid hydrochloride |
| IUPAC Name | 2-pyridin-4-yloxybenzoic acid;hydrochloride |
| InChI | InChI=1S/C12H9NO3.ClH/c14-12(15)10-3-1-2-4-11(10)16-9-5-7-13-8-6-9;/h1-8H,(H,14,15);1H |
| InChI Key | ISTVYWHBDJLERG-UHFFFAOYSA-N |
| MDL Number | MFCD28348227 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | Cl.OC(C1=C(OC2=CC=NC=C2)C=CC=C1)=O |
| Synonyms | 2-(pyridin-4-yloxy)benzoic acid hydrochloride,
1803567-54-5,
Z2010010274,
|
| Complexity | 238 |
| 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 |
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Certificate of Analysis
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