| CAS Number | 884494-64-8 |
| Catalog Number | AG01DWSA |
| Chemical Name | 4,5,6-trifluoro-1H-indole-2-carboxylic acid |
| IUPAC Name | 4,5,6-trifluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H4F3NO2/c10-4-2-5-3(7(11)8(4)12)1-6(13-5)9(14)15/h1-2,13H,(H,14,15) |
| InChI Key | HPKJHKKYUIXQRR-UHFFFAOYSA-N |
| MDL Number | MFCD03095051 |
| Molecular Formula | C9H4F3NO2 |
| Molecular Weight | 215.1288 |
| SMILES | FC1=C2C=C(NC2=CC(=C1F)F)C(=O)O |
| Synonyms | 4,5,6-trifluoro-1H-indole-2-carboxylic acid,
884494-64-8,
AKOS017550321,
1H-Indole-2-carboxylic acid, 4,5,6-trifluoro,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number