| CAS Number | 881044-41-3 |
| Catalog Number | AG019Q27 |
| Chemical Name | 1-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid |
| InChI | InChI=1S/C11H9FN2O3/c12-7-1-3-8(4-2-7)14-10(15)6-5-9(13-14)11(16)17/h1-4H,5-6H2,(H,16,17) |
| InChI Key | KXHFLGWSDFKMGN-UHFFFAOYSA-N |
| MDL Number | MFCD06650685 |
| Molecular Formula | C11H9FN2O3 |
| Molecular Weight | 236.1992 |
| SMILES | OC(C1CCC(=O)N(C2=CC=C(F)C=C2)N=1)=O |
| Synonyms | 1-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,
EN300-86900,
881044-41-3,
AC1Q745P,
CTK7I6013,
SBB042799,
STL280179,
ZINC16757115,
AKOS000126721,
MCULE-6680972986,
BC4147244,
1-(4-fluorophenyl)-6-oxo-1,4,5-trihydropyridazine-3-carboxylic acid,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.202g/mol |
| Monoisotopic Mass | 236.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number