| CAS Number | 884494-65-9 |
| Catalog Number | AG01C038 |
| Chemical Name | 4,5,6-trifluoroindole |
| IUPAC Name | 4,5,6-trifluoro-1H-indole |
| InChI | InChI=1S/C8H4F3N/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,12H |
| InChI Key | IFMWWSIBNPNIKC-UHFFFAOYSA-N |
| MDL Number | MFCD03095054 |
| Molecular Formula | C8H4F3N |
| Molecular Weight | 171.1193 |
| SMILES | FC1=C(C(F)=C2C=CNC2=C1)F |
| Synonyms | 4,5,6-trifluoro-1H-indole,
884494-65-9,
4,5,6-trifluoroindole,
ZINC2383987,
AKOS006278587,
Z2768769280,
CID11672738,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.122g/mol |
| Monoisotopic Mass | 171.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number