| CAS Number | 174607-37-5 |
| Catalog Number | AG00ASUE(AGN-PC-03VYDN) |
| Chemical Name | 3-BROMO-6-(TRIFLUOROMETHYL)PYRIDAZINE |
| IUPAC Name | 3-bromo-6-(trifluoromethyl)pyridazine |
| InChI | InChI=1S/C5H2BrF3N2/c6-4-2-1-3(10-11-4)5(7,8)9/h1-2H |
| InChI Key | WCBUSZLXHSFLHK-UHFFFAOYSA-N |
| MDL Number | MFCD14702751 |
| Molecular Formula | C5H2BrF3N2 |
| Molecular Weight | 226.9820 |
| SMILES | FC(C1=NN=C(Br)C=C1)(F)F |
| Synonyms | 3-bromo-6-(trifluoromethyl)pyridazine,
174607-37-5,
SCHEMBL8824511,
MFCD14702751,
ZINC72193270,
AKOS015946643,
MB14168,
NE20744,
BS-13561,
Pyridazine, 3-bromo-6-(trifluoromethyl)-,
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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 | 225.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.984g/mol |
| Monoisotopic Mass | 225.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number