| CAS Number | 1706447-96-2 |
| Catalog Number | AG01BXF1 |
| Chemical Name | 5-(difluoromethyl)furan-3-carboxylic acid |
| IUPAC Name | 5-(difluoromethyl)furan-3-carboxylic acid |
| InChI | InChI=1S/C6H4F2O3/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,5H,(H,9,10) |
| InChI Key | GXDSIKGWWJZILN-UHFFFAOYSA-N |
| MDL Number | MFCD28024346 |
| Molecular Formula | C6H4F2O3 |
| Molecular Weight | 162.091 |
| SMILES | OC(C1C=C(C(F)F)OC=1)=O |
| Synonyms | 5-(difluoromethyl)furan-3-carboxylic acid,
1706447-96-2,
AKOS033982885,
ZINC217641538,
Z2692093679,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.092g/mol |
| Monoisotopic Mass | 162.013g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number