| CAS Number | 189330-26-5 |
| Catalog Number | AG01C7LJ(AGN-PC-022VH8) |
| Chemical Name | 2-(difluoromethyl)thiophene-3-carboxylic acid |
| IUPAC Name | 2-(difluoromethyl)thiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H4F2O2S/c7-5(8)4-3(6(9)10)1-2-11-4/h1-2,5H,(H,9,10) |
| InChI Key | BFMDXJOTIDRJCC-UHFFFAOYSA-N |
| MDL Number | MFCD20659263 |
| Molecular Formula | C6H4F2O2S |
| Molecular Weight | 178.1566 |
| SMILES | OC(C1=C(C(F)F)SC=C1)=O |
| Synonyms | 2-(difluoromethyl)thiophene-3-carboxylic acid,
189330-26-5,
SCHEMBL8628942,
BFMDXJOTIDRJCC-UHFFFAOYSA-N,
AKOS034076399,
2-difluoromethyl-3-thiophenecarboxylic acid,
CS-0088278,
2-(difluoromethyl)-3-thiophenecarboxylic acid,
|
| 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 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number