| CAS Number | 1291846-00-8 |
| Catalog Number | AG01BH40 |
| Chemical Name | 1-(4-Fluorophenyl)-6-methoxy-4-oxo-1,4-dihydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid |
| InChI | InChI=1S/C12H9FN2O4/c1-19-10-6-9(16)11(12(17)18)14-15(10)8-4-2-7(13)3-5-8/h2-6H,1H3,(H,17,18) |
| InChI Key | COJLCMFTEDPVLV-UHFFFAOYSA-N |
| MDL Number | MFCD18788400 |
| Molecular Formula | C12H9FN2O4 |
| Molecular Weight | 264.2093 |
| SMILES | COC1N(C2=CC=C(F)C=C2)N=C(C(O)=O)C(=O)C=1 |
| Synonyms | 1-(4-fluorophenyl)-6-methoxy-4-oxo-1,4-dihydropyridazine-3-carboxylic acid,
1291846-00-8,
STL096134,
ZINC67244887,
AKOS005724102,
MCULE-2320903270,
|
| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.212g/mol |
| Monoisotopic Mass | 264.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number