| CAS Number | 244268-36-8 |
| Catalog Number | AG019EPP(AGN-PC-0NHNCH) |
| Chemical Name | 4-METHYL-5-(TRIFLUOROMETHYL)PYRIDAZIN-3(2H)-ONE |
| IUPAC Name | 5-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one |
| InChI | InChI=1S/C6H5F3N2O/c1-3-4(6(7,8)9)2-10-11-5(3)12/h2H,1H3,(H,11,12) |
| InChI Key | YLLMBSRCXJACAA-UHFFFAOYSA-N |
| MDL Number | MFCD30546013 |
| Molecular Formula | C6H5F3N2O |
| Molecular Weight | 178.1119 |
| SMILES | CC=1C(NN=CC1C(F)(F)F)=O |
| Synonyms | 244268-36-8,
4-methyl-5-(trifluoromethyl)pyridazin-3(2H)-one,
SCHEMBL4289372,
4-Methyl-5-trifluoromethyl-2H-pyridazin-3-one,
CTK0I7394,
DTXSID90476598,
AKOS030539114,
CS-0060055,
3(2H)-Pyridazinone, 4-methyl-5-(trifluoromethyl)-,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.114g/mol |
| Monoisotopic Mass | 178.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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