| CAS Number | 1065100-50-6 |
| Catalog Number | AG018SBA(AGN-PC-0WBPVL) |
| Chemical Name | 6-iodo-2-(trifluoromethyl)-1,4-dihydroquinolin-4-one |
| IUPAC Name | 6-iodo-2-(trifluoromethyl)-1H-quinolin-4-one |
| InChI | InChI=1S/C10H5F3INO/c11-10(12,13)9-4-8(16)6-3-5(14)1-2-7(6)15-9/h1-4H,(H,15,16) |
| InChI Key | MGVPAKBHXXRIEL-UHFFFAOYSA-N |
| MDL Number | MFCD12114514 |
| Molecular Formula | C10H5F3INO |
| Molecular Weight | 339.0525 |
| SMILES | FC(C1NC2=C(C=C(C=C2)I)C(=O)C=1)(F)F |
| Synonyms | 6-iodo-2-(trifluoromethyl)-1,4-dihydroquinolin-4-one,
1065100-50-6,
AC1Q4IVH,
CTK7C3364,
ZINC36379873,
AKOS008139486,
MCULE-7497979558,
NE30445,
EN300-52370,
F8889-6074,
Z802671580,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.056g/mol |
| Monoisotopic Mass | 338.937g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number