| CAS Number | 1701549-69-0 |
| Catalog Number | AG01BVNQ |
| Chemical Name | 4-bromo-6-fluoro-1H-indole-2-carboxylic acid |
| IUPAC Name | 4-bromo-6-fluoro-1H-indole-2-carboxylic acid |
| InChI | InChI=1S/C9H5BrFNO2/c10-6-1-4(11)2-7-5(6)3-8(12-7)9(13)14/h1-3,12H,(H,13,14) |
| InChI Key | QLXJQHDHMHTMAL-UHFFFAOYSA-N |
| MDL Number | MFCD31559641 |
| Molecular Formula | C9H5BrFNO2 |
| Molecular Weight | 258.0439 |
| SMILES | OC(C1NC2=C(C(=CC(=C2)F)Br)C=1)=O |
| Synonyms | 4-bromo-6-fluoro-1H-indole-2-carboxylic acid,
1701549-69-0,
AKOS023653080,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.046g/mol |
| Monoisotopic Mass | 256.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number