| CAS Number | 926231-98-3 |
| Catalog Number | AG01A3N7 |
| Chemical Name | 1-(2-Fluorophenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid |
| IUPAC Name | 1-(2-fluorophenyl)-6-oxopyridazine-3-carboxylic acid |
| InChI | InChI=1S/C11H7FN2O3/c12-7-3-1-2-4-9(7)14-10(15)6-5-8(13-14)11(16)17/h1-6H,(H,16,17) |
| InChI Key | JGQPBHPEMZZFQM-UHFFFAOYSA-N |
| MDL Number | MFCD09043202 |
| Molecular Formula | C11H7FN2O3 |
| Molecular Weight | 234.1833 |
| SMILES | OC(C1=NN(C2=C(F)C=CC=C2)C(=O)C=C1)=O |
| Synonyms | 1-(2-FLUOROPHENYL)-6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID,
926231-98-3,
CTK7C2530,
ZINC21954461,
AKOS000127061,
MCULE-1110960053,
NE25123,
Z1582263891,
|
| Complexity | 406 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.186g/mol |
| Monoisotopic Mass | 234.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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