| CAS Number | 328546-70-9 |
| Catalog Number | AG01AHSZ(AGN-PC-0WOMRL) |
| Chemical Name | 3-(Pyridin-4-yloxy)benzoic acid hydrochloride |
| IUPAC Name | 3-pyridin-4-yloxybenzoic acid;hydrochloride |
| InChI | InChI=1S/C12H9NO3.ClH/c14-12(15)9-2-1-3-11(8-9)16-10-4-6-13-7-5-10;/h1-8H,(H,14,15);1H |
| InChI Key | HTNHUWABAPYTCM-UHFFFAOYSA-N |
| MDL Number | MFCD18785586 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | Cl.OC(C1=CC(OC2=CC=NC=C2)=CC=C1)=O |
| Synonyms | 3-(pyridin-4-yloxy)benzoic acid hydrochloride,
328546-70-9,
SCHEMBL6199364,
AKOS008146798,
NE61754,
EN300-75701,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number