| CAS Number | 749258-96-6 |
| Catalog Number | AG003AI2(AGN-PC-0BU3D7) |
| Chemical Name | 3-Chloro-4-(trifluoromethyl)pyridazine |
| IUPAC Name | 3-chloro-4-(trifluoromethyl)pyridazine |
| InChI | InChI=1S/C5H2ClF3N2/c6-4-3(5(7,8)9)1-2-10-11-4/h1-2H |
| InChI Key | JHLNYYAILLQDCR-UHFFFAOYSA-N |
| MDL Number | MFCD20484512 |
| Molecular Formula | C5H2ClF3N2 |
| Molecular Weight | 182.5310 |
| SMILES | ClC=1N=NC=CC1C(F)(F)F |
| Synonyms | 3-chloro-4-(trifluoromethyl)Pyridazine,
749258-96-6,
3-Chloro-4-trifluoromethyl-pyridazine,
3-chloro-4-(trifluoromethyl)-Pyridazine,
SCHEMBL3517355,
JHLNYYAILLQDCR-UHFFFAOYSA-N,
3-chloro-4-trifluoromethylpyridazine,
AKOS026716396,
ZINC201353708,
SB13709,
DA-03702,
FT-0717524,
F2147-3383,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.53g/mol |
| Monoisotopic Mass | 181.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number