| CAS Number | 929975-31-5 |
| Catalog Number | AG019KG4(AGN-PC-0WO566) |
| Chemical Name | 4-(TRIFLUOROMETHYL)-2H,3H,5H,6H,7H-CYCLOPENTA[C]PYRIDAZIN-3-ONE |
| IUPAC Name | 4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one |
| InChI | InChI=1S/C8H7F3N2O/c9-8(10,11)6-4-2-1-3-5(4)12-13-7(6)14/h1-3H2,(H,13,14) |
| InChI Key | OGPUKTLVBKZHJC-UHFFFAOYSA-N |
| MDL Number | MFCD09040415 |
| Molecular Formula | C8H7F3N2O |
| Molecular Weight | 204.1492 |
| SMILES | FC(C1=C2C(=NNC1=O)CCC2)(F)F |
| Synonyms | 4-(trifluoromethyl)-2,5,6,7-tetrahydro-3H-cyclopenta[c]pyridazin-3-one,
929975-31-5,
4-(trifluoromethyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one,
AC1Q4IR4,
CTK7H0372,
ZINC8855843,
AKOS009115987,
EN300-26818,
Z235333141,
|
| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.152g/mol |
| Monoisotopic Mass | 204.051g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number