| CAS Number | 247564-70-1 |
| Catalog Number | AG01C1N1 |
| Chemical Name | 5,6,7-Trifluoro-1H-indole-2-carboxylic acid |
| IUPAC Name | 5,6,7-trifluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H4F3NO2/c10-4-1-3-2-5(9(14)15)13-8(3)7(12)6(4)11/h1-2,13H,(H,14,15) |
| InChI Key | IRUXZNNSALVGTR-UHFFFAOYSA-N |
| MDL Number | MFCD01863164 |
| Molecular Formula | C9H4F3NO2 |
| Molecular Weight | 215.1288 |
| SMILES | FC=1C=C2C=C(NC2=C(C1F)F)C(=O)O |
| Synonyms | 5,6,7-trifluoro-1H-indole-2-carboxylic acid,
247564-70-1,
ZINC62706304,
AKOS012352618,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.131g/mol |
| Monoisotopic Mass | 215.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number