| CAS Number | 1504512-59-7 |
| Catalog Number | AG01DR8K(AGN-PC-0GI3NP) |
| Chemical Name | 5,7-Difluoro-1-benzofuran-3-carboxylic acid |
| IUPAC Name | 5,7-difluoro-1-benzofuran-3-carboxylic acid |
| InChI | InChI=1S/C9H4F2O3/c10-4-1-5-6(9(12)13)3-14-8(5)7(11)2-4/h1-3H,(H,12,13) |
| InChI Key | OTPQOPLHCGEGSD-UHFFFAOYSA-N |
| MDL Number | MFCD21281662 |
| Molecular Formula | C9H4F2O3 |
| Molecular Weight | 198.1231 |
| SMILES | FC=1C=C(C2=C(C(=CO2)C(=O)O)C1)F |
| Synonyms | 5,7-difluoro-1-benzofuran-3-carboxylic acid,
1504512-59-7,
AKOS015006943,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.125g/mol |
| Monoisotopic Mass | 198.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number