| CAS Number | 1311315-05-5 |
| Catalog Number | AG01AINU |
| Chemical Name | 4-Methyl-3-(pyridin-4-yloxy)benzoic acid hydrochloride |
| IUPAC Name | 4-methyl-3-pyridin-4-yloxybenzoic acid;hydrochloride |
| InChI | InChI=1S/C13H11NO3.ClH/c1-9-2-3-10(13(15)16)8-12(9)17-11-4-6-14-7-5-11;/h2-8H,1H3,(H,15,16);1H |
| InChI Key | ZEQKOAOBARCFLQ-UHFFFAOYSA-N |
| MDL Number | MFCD18917345 |
| Molecular Formula | C13H12ClNO3 |
| Molecular Weight | 265.6923 |
| SMILES | Cl.CC1=C(OC2=CC=NC=C2)C=C(C(O)=O)C=C1 |
| Synonyms | 4-methyl-3-(pyridin-4-yloxy)benzoic acid hydrochloride,
1311315-05-5,
MCULE-4127374075,
NE37764,
EN300-78513,
Z1259339989,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.693g/mol |
| Monoisotopic Mass | 265.051g/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