| CAS Number | 215801-85-7 |
| Catalog Number | AG01CAEX(AGN-PC-03MPWE) |
| Chemical Name | 3-Benzofurancarboxylic acid, 7-fluoro- |
| IUPAC Name | 7-fluoro-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H5FO3/c10-7-3-1-2-5-6(9(11)12)4-13-8(5)7/h1-4H,(H,11,12) |
| InChI Key | JFTGTPKPRQFGEI-UHFFFAOYSA-N |
| MDL Number | MFCD21281648 |
| Molecular Formula | C9H5FO3 |
| Molecular Weight | 180.1326 |
| SMILES | OC(=O)C1C2C(OC=1)=C(F)C=CC=2 |
| Synonyms | 215801-85-7,
7-fluoro-1-benzofuran-3-carboxylic acid,
7-fluorobenzofuran-3-carboxylic acid,
SCHEMBL4222147,
AKOS015008787,
3-Benzofurancarboxylic acid, 7-fluoro-,
|
| 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