| CAS Number | 926202-92-8 |
| Catalog Number | AG01ELBN |
| Chemical Name | 1-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(4-bromophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid |
| InChI | InChI=1S/C11H9BrN2O3/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 | XZVQRRHOXLZAQG-UHFFFAOYSA-N |
| MDL Number | MFCD09048785 |
| Molecular Formula | C11H9BrN2O3 |
| Molecular Weight | 297.1048 |
| SMILES | OC(C1CCC(=O)N(C2=CC=C(Br)C=C2)N=1)=O |
| Synonyms | 1-(4-BROMOPHENYL)-6-OXO-1,4,5,6-TETRAHYDROPYRIDAZINE-3-CARBOXYLIC ACID,
CTK7I6010,
AKOS000132691,
926202-92-8,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.108g/mol |
| Monoisotopic Mass | 295.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number