| CAS Number | 2007917-53-3 |
| Catalog Number | AG01BRGL |
| Chemical Name | 4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C5H3F2NO2S/c6-4(7)2-3(5(9)10)11-1-8-2/h1,4H,(H,9,10) |
| InChI Key | NORMLSCFTVVMDX-UHFFFAOYSA-N |
| MDL Number | MFCD30471218 |
| Molecular Formula | C5H3F2NO2S |
| Molecular Weight | 179.1446 |
| SMILES | FC(C=1N=CSC1C(=O)O)F |
| Synonyms | 4-(Difluoromethyl)thiazole-5-carboxylic acid,
2007917-53-3,
4-(difluoromethyl)-1,3-thiazole-5-carboxylic acid,
MFCD30471218,
AKOS030628835,
ZINC498036591,
AS-43602,
F2147-8277,
Z2736475748,
|
| Complexity | 167 |
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number