| CAS Number | 842115-55-3 |
| Catalog Number | AG01AAJV |
| Chemical Name | 1-[2-(2-Fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one |
| IUPAC Name | 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone |
| InChI | InChI=1S/C12H10FNOS/c1-7-11(8(2)15)16-12(14-7)9-5-3-4-6-10(9)13/h3-6H,1-2H3 |
| InChI Key | MHEWBMAPHQDNDQ-UHFFFAOYSA-N |
| MDL Number | MFCD06636360 |
| Molecular Formula | C12H10FNOS |
| Molecular Weight | 235.2773 |
| SMILES | CC(C1=C(C)N=C(C2=C(F)C=CC=C2)S1)=O |
| Synonyms | 1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one,
842115-55-3,
AC1MH3QE,
AC1Q1JDE,
ZINC4842404,
AKOS000359468,
MCULE-7989263901,
NE13290,
EN300-68816,
Z1258943268,
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone,
ZINC04842404,
CID2995869,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.276g/mol |
| Monoisotopic Mass | 235.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number