| CAS Number | 127532-47-2 |
| Catalog Number | AG01B9PU |
| Chemical Name | 2,2,2-Trifluoro-1-(2-methylindolizin-3-yl)ethan-1-one |
| IUPAC Name | 2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone |
| InChI | InChI=1S/C11H8F3NO/c1-7-6-8-4-2-3-5-15(8)9(7)10(16)11(12,13)14/h2-6H,1H3 |
| InChI Key | BQBFZNVCQSRADE-UHFFFAOYSA-N |
| MDL Number | MFCD02707620 |
| Molecular Formula | C11H8F3NO |
| Molecular Weight | 227.1825 |
| SMILES | CC1=C(C(C(F)(F)F)=O)N2C(C=CC=C2)=C1 |
| Synonyms | 127532-47-2,
2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethan-1-one,
Ethanone, 2,2,2-trifluoro-1-(2-methyl-3-indolizinyl)-,
AC1M5551,
ZINC3193719,
2-methyl-3-trifluoroacetylindolizine,
AKOS034455234,
MCULE-6770912747,
SR-01000029149,
SR-01000029149-1,
2,2,2-trifluoro-1-(2-methylindolizin-3-yl)ethanone,
Z56790837,
ZINC03193719,
CID2322067,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.186g/mol |
| Monoisotopic Mass | 227.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number