| CAS Number | 500605-08-3 |
| Catalog Number | AG019XIU(AGN-PC-0WO30M) |
| Chemical Name | 2-(2-Fluorophenyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14) |
| InChI Key | XXKQUDUROIXGAP-UHFFFAOYSA-N |
| MDL Number | MFCD07376769 |
| Molecular Formula | C10H6FNO2S |
| Molecular Weight | 223.2235 |
| SMILES | OC(C1SC(C2=C(F)C=CC=C2)=NC=1)=O |
| Synonyms | 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid,
500605-08-3,
AC1Q73Z3,
SCHEMBL6662966,
CTK7C2377,
ZINC34938251,
AKOS008077847,
MCULE-7540831702,
NE23514,
EN300-55137,
Z1171978901,
5-thiazolecarboxylic acid, 2-(2-fluorophenyl),
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.221g/mol |
| Monoisotopic Mass | 223.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number