| CAS Number | 259860-07-6 |
| Catalog Number | AG01BQ3C |
| Chemical Name | 6-Chloro-7-Fluoro-1H-Indole-2-Carboxylic Acid |
| IUPAC Name | 6-chloro-7-fluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5ClFNO2/c10-5-2-1-4-3-6(9(13)14)12-8(4)7(5)11/h1-3,12H,(H,13,14) |
| InChI Key | HRXULQOUYMZDIV-UHFFFAOYSA-N |
| MDL Number | MFCD22563677 |
| Molecular Formula | C9H5ClFNO2 |
| Molecular Weight | 213.5929 |
| SMILES | O=C(C(N1)=CC2=C1C(F)=C(Cl)C=C2)O |
| Synonyms | 6-chloro-7-fluoro-1H-indole-2-carboxylic acid,
259860-07-6,
SCHEMBL7677228,
HRXULQOUYMZDIV-UHFFFAOYSA-N,
ZINC143346388,
6-Chloro-7-fluoroindole-2-carboxylic Acid,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.592g/mol |
| Monoisotopic Mass | 212.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number