| CAS Number | 1019111-84-2 |
| Catalog Number | AG01A1NJ(AGN-PC-0WCN3P) |
| Chemical Name | 5,7-Difluoro-3-methyl-1-benzofuran-2-carboxylic acid |
| IUPAC Name | 5,7-difluoro-3-methyl-1-benzofuran-2-carboxylic acid |
| InChI | InChI=1S/C10H6F2O3/c1-4-6-2-5(11)3-7(12)9(6)15-8(4)10(13)14/h2-3H,1H3,(H,13,14) |
| InChI Key | VIEBTMPYGMCTMU-UHFFFAOYSA-N |
| MDL Number | MFCD09965712 |
| Molecular Formula | C10H6F2O3 |
| Molecular Weight | 212.1496 |
| SMILES | O=C(O)C1=C(C)C2=CC(F)=CC(F)=C2O1 |
| Synonyms | 5,7-difluoro-3-methyl-1-benzofuran-2-carboxylic acid,
1019111-84-2,
ZINC11920435,
AKOS005208499,
MCULE-8964162579,
L-4752,
F2169-0506,
Z1492797076,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.152g/mol |
| Monoisotopic Mass | 212.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number