| CAS Number | 1094260-22-6 |
| Catalog Number | AG01ARIM |
| Chemical Name | 6-Chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine |
| IUPAC Name | 6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine |
| InChI | InChI=1S/C11H6ClFN4/c12-9-5-6-10-14-15-11(17(10)16-9)7-1-3-8(13)4-2-7/h1-6H |
| InChI Key | XUXPGXZBMMPANM-UHFFFAOYSA-N |
| MDL Number | MFCD11182541 |
| Molecular Formula | C11H6ClFN4 |
| Molecular Weight | 248.6435 |
| SMILES | ClC=1C=CC=2N(N1)C(=NN2)C2=CC=C(C=C2)F |
| Synonyms | 6-chloro-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine,
1094260-22-6,
SCHEMBL15365749,
ZINC36903736,
AKOS005875085,
F1967-0582,
3-(4-Fluorophenyl)-5-chloro-1,2,3a,4-tetraaza-3aH-indene,
6-chloro-3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.645g/mol |
| Monoisotopic Mass | 248.027g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number