| CAS Number | 189330-29-8 |
| Catalog Number | AG01BVT3(AGN-PC-01X6BT) |
| Chemical Name | 5-(Difluoromethyl)furan-2-carboxylic acid |
| IUPAC Name | 5-(difluoromethyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C6H4F2O3/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5H,(H,9,10) |
| InChI Key | WKFNVXVMUIBVAK-UHFFFAOYSA-N |
| MDL Number | MFCD20659265 |
| Molecular Formula | C6H4F2O3 |
| Molecular Weight | 162.0910 |
| SMILES | OC(C1OC(C(F)F)=CC=1)=O |
| Synonyms | 5-(difluoromethyl)furan-2-carboxylic acid,
189330-29-8,
2-Furancarboxylic acid, 5-(difluoromethyl)-,
SCHEMBL6819262,
WKFNVXVMUIBVAK-UHFFFAOYSA-N,
AKOS023599418,
ZINC107256318,
5-difluoromethyl-2-furancarboxylic acid,
Z2692095039,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number