| CAS Number | 1156584-54-1 |
| Catalog Number | AG01A94P |
| Chemical Name | 2-(3,4-Difluorophenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(3,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H5F2NO2S/c11-6-2-1-5(3-7(6)12)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15) |
| InChI Key | GBWFVHNWUPDSPM-UHFFFAOYSA-N |
| MDL Number | MFCD12110826 |
| Molecular Formula | C10H5F2NO2S |
| Molecular Weight | 241.2140 |
| SMILES | OC(C1N=C(C2=CC(F)=C(F)C=C2)SC=1)=O |
| Synonyms | 2-(3,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid,
1156584-54-1,
ZINC36888301,
AKOS009851841,
MCULE-8350689383,
NE36821,
Z1626921339,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.212g/mol |
| Monoisotopic Mass | 241.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number