| CAS Number | 1780853-40-8 |
| Catalog Number | AG01CADU |
| Chemical Name | 6-Fluoro-1-benzofuran-7-carboxylic acid |
| IUPAC Name | 6-fluoro-1-benzofuran-7-carboxylic acid |
| InChI | InChI=1S/C9H5FO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12) |
| InChI Key | OBVOVAWAKKDUFL-UHFFFAOYSA-N |
| MDL Number | MFCD28540737 |
| Molecular Formula | C9H5FO3 |
| Molecular Weight | 180.1326 |
| SMILES | OC(C1=C2C(C=CO2)=CC=C1F)=O |
| Synonyms | 6-fluoro-1-benzofuran-7-carboxylic acid,
1780853-40-8,
SCHEMBL18329452,
AKOS024127319,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.134g/mol |
| Monoisotopic Mass | 180.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number