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Bottle of S-23 Liquid

S-23

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$81.99$89.99

Concentration
25 mg per mL

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Properties

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

Identifiers

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

2D Structure

Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)

S-23 2D molecular structure vector generated with oBabel

3D Structure

Interactive 3D representation of S-23 (CID 24892822)

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