| CAS Number | 147373-09-9 |
| Catalog Number | AG01C3IZ(AGN-PC-01RGRX) |
| Chemical Name | 5-fluoro-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 5-fluoro-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H5FO3/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4H,(H,11,12) |
| InChI Key | CNGNGGBYKPBLCU-UHFFFAOYSA-N |
| MDL Number | MFCD21234545 |
| Molecular Formula | C9H5FO3 |
| Molecular Weight | 180.1326 |
| SMILES | FC1C=C2C(C(O)=O)=COC2=CC=1 |
| Synonyms | 5-fluorobenzofuran-3-carboxylic acid,
147373-09-9,
5-FLUORO-1-BENZOFURAN-3-CARBOXYLIC ACID,
SCHEMBL6614160,
CNGNGGBYKPBLCU-UHFFFAOYSA-N,
ZINC83823317,
AKOS014775953,
AB76600,
Z2429425708,
|
| 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