| CAS Number | 1388021-03-1 |
| Catalog Number | AG01C7PW |
| Chemical Name | 5-Fluorobenzofuran-7-carboxylic acid |
| IUPAC Name | 5-fluoro-1-benzofuran-7-carboxylic acid |
| InChI | InChI=1S/C9H5FO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h1-4H,(H,11,12) |
| InChI Key | WSJRATHUSPTLAI-UHFFFAOYSA-N |
| MDL Number | MFCD22560160 |
| Molecular Formula | C9H5FO3 |
| Molecular Weight | 180.1326 |
| SMILES | O=C(C1=C(OC=C2)C2=CC(F)=C1)O |
| Synonyms | 5-fluorobenzofuran-7-carboxylic acid,
1388021-03-1,
SCHEMBL4823128,
AKOS023769597,
ZINC108266456,
|
| 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