| CAS Number | 1094425-19-0 |
| Catalog Number | AG01ARID(AGN-PC-0WCNH7) |
| Chemical Name | 6-chloro-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine |
| IUPAC Name | 6-chloro-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine |
| InChI | InChI=1S/C11H6ClFN4/c12-9-4-5-10-14-15-11(17(10)16-9)7-2-1-3-8(13)6-7/h1-6H |
| InChI Key | GHWZNGPMUKVBLK-UHFFFAOYSA-N |
| MDL Number | MFCD11182585 |
| Molecular Formula | C11H6ClFN4 |
| Molecular Weight | 248.6435 |
| SMILES | FC1=CC(C2N3C(C=CC(=N3)Cl)=NN=2)=CC=C1 |
| Synonyms | 6-chloro-3-(3-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine,
1094425-19-0,
6-chloro-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine,
SCHEMBL15365501,
ZINC36903787,
AKOS009332358,
MCULE-1512250143,
L-3820,
F1967-0581,
3-(3-Fluorophenyl)-5-chloro-1,2,3a,4-tetraaza-3aH-indene,
|
| Complexity | 280 |
| 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