| CAS Number | 247564-64-3 |
| Catalog Number | AG01BEOJ |
| Chemical Name | 5,6,7-Trifluoro-1H-indole |
| IUPAC Name | 5,6,7-trifluoro-1H-indole |
| InChI | InChI=1S/C8H4F3N/c9-5-3-4-1-2-12-8(4)7(11)6(5)10/h1-3,12H |
| InChI Key | QSMSVCBDSJEBFM-UHFFFAOYSA-N |
| MDL Number | MFCD01863155 |
| Molecular Formula | C8H4F3N |
| Molecular Weight | 171.1193 |
| SMILES | FC1C(F)=C(F)C2=C(C=CN2)C=1 |
| Synonyms | 5,6,7-trifluoro-1H-indole,
247564-64-3,
SCHEMBL2535930,
AKOS034018986,
ZINC147675737,
F2147-9864,
Z2755723992,
|
| 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