| CAS Number | 189330-25-4 |
| Catalog Number | AG01C0LI(AGN-PC-022VHA) |
| Chemical Name | 3-(Difluoromethyl)thiophene-2-carboxylic acid |
| IUPAC Name | 3-(difluoromethyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H4F2O2S/c7-5(8)3-1-2-11-4(3)6(9)10/h1-2,5H,(H,9,10) |
| InChI Key | DAQBXAMVSOIJCO-UHFFFAOYSA-N |
| MDL Number | MFCD20659264 |
| Molecular Formula | C6H4F2O2S |
| Molecular Weight | 178.1566 |
| SMILES | FC(C1=C(SC=C1)C(=O)O)F |
| Synonyms | 3-(difluoromethyl)thiophene-2-carboxylic acid,
189330-25-4,
SCHEMBL8629027,
DAQBXAMVSOIJCO-UHFFFAOYSA-N,
AKOS034018988,
ZINC143225913,
3-difluoromethyl-2-thiophenecarboxylic acid,
Z2755724016,
2-Thiophenecarboxylic acid, 3-(difluoromethyl)-,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.153g/mol |
| Monoisotopic Mass | 177.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number