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| Name | 4-[[(2-Chloroethyl)Thio]Methyl]-Benzenepropanoic Acid |
|---|---|
| Synonyms | 3-[4-[(2-Chloroethylthio)Methyl]Phenyl]Propanoic Acid; 3-[4-[(2-Chloroethylthio)Methyl]Phenyl]Propionic Acid; Nsc50747 |
| Molecular Structure | ![CAS#: 6951-12-8, 4-[[(2-Chloroethyl)Thio]Methyl]-Benzenepropanoic Acid](/moreStructures/6951-12-8.gif) |
| Molecular Formula | C12H15ClO2S |
| Molecular Weight | 258.76 |
| CAS Registry Number | 6951-12-8 |
| SMILES | C1=C(CSCCCl)C=CC(=C1)CCC(=O)O |
| InChI | 1S/C12H15ClO2S/c13-7-8-16-9-11-3-1-10(2-4-11)5-6-12(14)15/h1-4H,5-9H2,(H,14,15) |
| InChIKey | HERXCPLQLPGVGR-UHFFFAOYSA-N |
| Density | 1.244g/cm3 (Cal.) |
|---|---|
| Boiling point | 417.38°C at 760 mmHg (Cal.) |
| Flash point | 206.224°C (Cal.) |
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| List of Reports Available for 4-[[(2-Chloroethyl)Thio]Methyl]-Benzenepropanoic Acid |