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S-23
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$81.99$89.99
- Concentration
- 25 mg per mL
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$81.99$89.99
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| Molecular Formula | C18H13ClF4N2O3 |
| Molecular Weight | 416.8 |
| Monoisotopic Mass | 416.0550826 |
| Polar Area | 82.4 |
| Complexity | 611 |
| XLogP | 3.7 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
| PubChem LCSS | S-23 Laboratory Chemical Safety Summary |
| Property | Property Value |
|---|---|
| CID | 24892822 |
| CAS | 1010396-29-8 |
| InChI | InChI=1S/C18H13ClF4N2O3/c1-17(27, 9-28-12-4-5-14(19)15(20)7-12)16(26)25-11-3-2-10(8-24)13(6-11)18(21, 22)23/h2-7, 27H, 9H2, 1H3, (H, 25, 26)/t17-/m0/s1 |
| InChIKey | SSFVOEAXHZGTRJ-KRWDZBQOSA-N |
| Isomeric SMILES | C[C@](COC1=CC(=C(C=C1)Cl)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O |
| Canonical SMILES | CC(COC1=CC(=C(C=C1)Cl)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O |
| IUPAC Name | (2S)-3-(4-chloro-3-fluorophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide |
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed June 28, 2022)
Interactive 3D representation of S-23 (CID 24892822)
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