AC1NPQX3
2-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-5-iodobenzoic acid|2-[3-(2,4-dichlorophenyl)prop-2-enoylthiocarbamoylamino]-5-iodo-benzoic Acid|2-[[[[3-(2,4-Dichlorophenyl)-1-oxo-2-propenyl ]amino]thioxomethyl ]amino]-5-iodo-benzoic acid
CAS: 535941-49-2
| Molecular Formula | C17H11Cl2IN2O3S |
|---|---|
| Molecular Weight | 519.89124 g/mol |
| LogP | 4.8226 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 519.89124 |
| Monoisotopic Mass | 519.89124 |
| Heavy Atoms | 26 |
| Complexity | 918.87616 |
Chemical Identifiers
| CAS Number | 535941-49-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O |
Product Overview
AC1NPQX3 (CAS 535941-49-2), with molecular formula C17H11Cl2IN2O3S and molecular weight 519.89124 g/mol. IUPAC: 2-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-5-iodobenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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