| CAS Number | 169674-08-2 |
| Catalog Number | AG01E8N7 |
| Chemical Name | 4-chloro-5-fluoro-1H-indole-2-carboxylic acid |
| IUPAC Name | 4-chloro-5-fluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5ClFNO2/c10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11/h1-3,12H,(H,13,14) |
| InChI Key | VPXADRLFOWLPHM-UHFFFAOYSA-N |
| MDL Number | MFCD24495697 |
| Molecular Formula | C9H5ClFNO2 |
| Molecular Weight | 213.5929 |
| SMILES | OC(C1NC2=C(C(=C(C=C2)F)Cl)C=1)=O |
| Synonyms | 4-chloro-5-fluoro-1H-indole-2-carboxylic acid,
169674-08-2,
SCHEMBL6161388,
VPXADRLFOWLPHM-UHFFFAOYSA-N,
4-chloro-5-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