| CAS Number | 1803606-58-7 |
| Catalog Number | AG01BB8B |
| Chemical Name | 7-(Trifluoromethoxy)-1,2,3,4-tetrahydroquinolin-2-one |
| IUPAC Name | 7-(trifluoromethoxy)-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C10H8F3NO2/c11-10(12,13)16-7-3-1-6-2-4-9(15)14-8(6)5-7/h1,3,5H,2,4H2,(H,14,15) |
| InChI Key | PZOGKOSXOXELOZ-UHFFFAOYSA-N |
| MDL Number | MFCD28505912 |
| Molecular Formula | C10H8F3NO2 |
| Molecular Weight | 231.1712 |
| SMILES | FC(OC1=CC=C2CCC(NC2=C1)=O)(F)F |
| Synonyms | 7-(trifluoromethoxy)-1,2,3,4-tetrahydroquinolin-2-one,
1803606-58-7,
SCHEMBL17785603,
PZOGKOSXOXELOZ-UHFFFAOYSA-N,
ZINC238854976,
7-(trifluoromethoxy)-3,4-dihydro-1H-quinolin-2-one,
7-(trifluoromethoxy)-3,4-dihydroquinolin-2(1H)-one,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.174g/mol |
| Monoisotopic Mass | 231.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number