| CAS Number | 1803570-24-2 |
| Catalog Number | AG01BDU5(AGN-PC-0WOSE1) |
| Chemical Name | 2,2-difluoro-2-(1,3-thiazol-2-yl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-(1,3-thiazol-2-yl)acetic acid |
| InChI | InChI=1S/C5H3F2NO2S/c6-5(7,4(9)10)3-8-1-2-11-3/h1-2H,(H,9,10) |
| InChI Key | VRUGPSWWDUJJGH-UHFFFAOYSA-N |
| MDL Number | MFCD28063912 |
| Molecular Formula | C5H3F2NO2S |
| Molecular Weight | 179.1446 |
| SMILES | O=C(O)C(F)(F)C1=NC=CS1 |
| Synonyms | 2,2-difluoro-2-(1,3-thiazol-2-yl)acetic acid,
1803570-24-2,
ZINC98095461,
AKOS026742393,
Z2048189425,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.141g/mol |
| Monoisotopic Mass | 178.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number