| CAS Number | 1094230-04-2 |
| Catalog Number | AG01A9T1 |
| Chemical Name | 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C11H8FNO2S/c12-8-3-1-7(2-4-8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
| InChI Key | CRJSAVSSWSJYLR-UHFFFAOYSA-N |
| MDL Number | MFCD11208428 |
| Molecular Formula | C11H8FNO2S |
| Molecular Weight | 237.2501 |
| SMILES | OC(C1SC(CC2=CC=C(F)C=C2)=NC=1)=O |
| Synonyms | 2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carboxylic acid,
1094230-04-2,
AC1Q73YK,
SCHEMBL8345339,
ZINC36930121,
AKOS008124333,
MCULE-6126027995,
NE37722,
EN300-66055,
Z1178484504,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.248g/mol |
| Monoisotopic Mass | 237.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number