| CAS Number | 1094423-44-5 |
| Catalog Number | AG019XQJ |
| Chemical Name | 2-(2-(4-Fluorobenzyl)thiazol-4-yl)acetic acid |
| IUPAC Name | 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C12H10FNO2S/c13-9-3-1-8(2-4-9)5-11-14-10(7-17-11)6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
| InChI Key | SWVRUVKWCNRFEZ-UHFFFAOYSA-N |
| MDL Number | MFCD11205907 |
| Molecular Formula | C12H10FNO2S |
| Molecular Weight | 251.2767 |
| SMILES | OC(CC1N=C(CC2=CC=C(F)C=C2)SC=1)=O |
| Synonyms | 2-{2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl}acetic acid,
1094423-44-5,
2-(2-(4-Fluorobenzyl)thiazol-4-yl)acetic acid,
AC1Q751E,
CTK7J2504,
ZINC36220895,
AKOS009331635,
MCULE-7163395113,
NE17838,
EN300-55785,
Z1259040945,
2-[2-[(4-fluorophenyl)methyl]thiazol-4-yl]acetic acid,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.275g/mol |
| Monoisotopic Mass | 251.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number