| CAS Number | 944890-57-7 |
| Catalog Number | AG019KQ1 |
| Chemical Name | 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide |
| IUPAC Name | 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide |
| InChI | InChI=1S/C10H8ClFN2OS/c1-5(11)9(15)14-10-13-7-3-2-6(12)4-8(7)16-10/h2-5H,1H3,(H,13,14,15) |
| InChI Key | IXLWCUSDEQDPRE-UHFFFAOYSA-N |
| MDL Number | MFCD09755442 |
| Molecular Formula | C10H8ClFN2OS |
| Molecular Weight | 258.6997 |
| SMILES | CC(C(NC1SC2=C(C=CC(=C2)F)N=1)=O)Cl |
| Synonyms | 2-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide,
944890-57-7,
AC1Q2AXY,
CTK7F4361,
AKOS000298313,
AKOS016901350,
MCULE-4387258372,
NE24662,
EN300-27969,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.695g/mol |
| Monoisotopic Mass | 258.003g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number