| CAS Number | 68254-09-1 |
| Catalog Number | AG019PQI |
| Chemical Name | 1-(3-Chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(3-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid |
| InChI | InChI=1S/C12H9ClN2O3/c1-7-5-10(16)11(12(17)18)14-15(7)9-4-2-3-8(13)6-9/h2-6H,1H3,(H,17,18) |
| InChI Key | AUNXJUKTLFEODP-UHFFFAOYSA-N |
| MDL Number | MFCD11544250 |
| Molecular Formula | C12H9ClN2O3 |
| Molecular Weight | 264.6645 |
| SMILES | ClC=1C=C(C=CC1)N1N=C(C(C=C1C)=O)C(=O)O |
| Synonyms | 1-(3-chlorophenyl)-6-methyl-4-oxo-1,4-dihydropyridazine-3-carboxylic acid,
68254-09-1,
SCHEMBL9180146,
ZINC36928483,
AKOS008124053,
MCULE-5848546064,
NE21579,
EN300-85996,
J3.592.456F,
Z1258952636,
1-(3-Chlorophenyl)-4-oxo-6-methyl-1,4-dihydropyridazine-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 | 264.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.665g/mol |
| Monoisotopic Mass | 264.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number