| CAS Number | 869634-08-2 |
| Catalog Number | AG019OME |
| Chemical Name | 1-(2-Fluorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid |
| InChI | InChI=1S/C12H9FN2O3/c1-7-6-10(16)11(12(17)18)14-15(7)9-5-3-2-4-8(9)13/h2-6H,1H3,(H,17,18) |
| InChI Key | OWVLQYNNEXUSHO-UHFFFAOYSA-N |
| MDL Number | MFCD07343832 |
| Molecular Formula | C12H9FN2O3 |
| Molecular Weight | 248.2099 |
| SMILES | CC1N(C2=C(F)C=CC=C2)N=C(C(O)=O)C(=O)C=1 |
| Synonyms | 1-(2-fluorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid,
869634-08-2,
AC1Q2HAU,
AC1OFK39,
MLS001176671,
SCHEMBL9183708,
CHEMBL1704141,
CTK7C2525,
HMS2899L07,
ZINC4218357,
AKOS009028933,
MCULE-1477836985,
NE26759,
SMR000595745,
EN300-14515,
AB00740687-01,
Z104341158,
1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid,
CID7130847,
1-(2-fluorophenyl)-6-methyl-4-oxo-pyridazine-3-carboxylic Acid,
|
| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.213g/mol |
| Monoisotopic Mass | 248.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number