| CAS Number | 950114-59-7 |
| Catalog Number | AG019L3G |
| Chemical Name | 2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C14H9NO3S/c16-14(17)12-11(9-5-2-1-3-6-9)15-13(19-12)10-7-4-8-18-10/h1-8H,(H,16,17) |
| InChI Key | ISOKSHFZZCNJOR-UHFFFAOYSA-N |
| MDL Number | MFCD09802200 |
| Molecular Formula | C14H9NO3S |
| Molecular Weight | 271.2912 |
| SMILES | OC(C1=C(C2=CC=CC=C2)N=C(C2OC=CC=2)S1)=O |
| Synonyms | 2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid,
950114-59-7,
2-(2-furyl)-4-phenyl-1,3-thiazole-5-carboxylic acid,
AC1Q72D7,
CTK7J1376,
ZINC12760864,
AKOS022322332,
MCULE-2749635631,
NE33658,
EN300-29698,
Z235352027,
2-(2-Furanyl)-4-methylthiazole-5-carboxylic acid, AldrichCPR,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.29g/mol |
| Monoisotopic Mass | 271.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number