| CAS Number | 926228-50-4 |
| Catalog Number | AG019UZB(AGN-PC-015QFI) |
| Chemical Name | 1-[(4-fluorophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid |
| InChI | InChI=1S/C12H11FN2O3/c13-9-3-1-8(2-4-9)7-15-11(16)6-5-10(14-15)12(17)18/h1-4H,5-7H2,(H,17,18) |
| InChI Key | DATJEUAWIDGGCK-UHFFFAOYSA-N |
| MDL Number | MFCD08442496 |
| Molecular Formula | C12H11FN2O3 |
| Molecular Weight | 250.2257 |
| SMILES | OC(C1CCC(=O)N(CC2=CC=C(F)C=C2)N=1)=O |
| Synonyms | 1-[(4-fluorophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,
926228-50-4,
1-(4-Fluorobenzyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid,
CTK7I6020,
AC1Q7472,
ZINC21951692,
AKOS000125189,
MCULE-7664711207,
NE13822,
EN300-43292,
AB00999790-01,
Z444311532,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.229g/mol |
| Monoisotopic Mass | 250.075g/mol |
| Rotatable Bond Count | 3 |
| 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