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| Name | Clocoumarol |
|---|---|
| Synonyms | 3-[1-[4-(2-Chloroethyl)Phenyl]Butyl]-2-Hydroxy-Chromen-4-One; 3-[1-[4-(2-Chloroethyl)Phenyl]Butyl]-2-Hydroxy-4-Chromenone; 3-[1-[4-(2-Chloroethyl)Phenyl]Butyl]-2-Hydroxy-Chromone |
| Molecular Structure |  |
| Molecular Formula | C21H21ClO3 |
| Molecular Weight | 356.85 |
| CAS Registry Number | 35838-63-2 |
| EINECS | 252-748-4 |
| SMILES | C3=C(C(CCC)C2=C(OC1=CC=CC=C1C2=O)O)C=CC(=C3)CCCl |
| InChI | 1S/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,24H,2,5,12-13H2,1H3 |
| InChIKey | BEZSPXMSEYYYBB-UHFFFAOYSA-N |
| Density | 1.262g/cm3 (Cal.) |
|---|---|
| Boiling point | 500.398°C at 760 mmHg (Cal.) |
| Flash point | 256.431°C (Cal.) |
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