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| IUPAC Name: | 2,6-dichlorocyclohexa-2,5-diene-1,4-dione |
| Description: | 2,6-Dichloro-1,4-benzoquinone (CAS# 697-91-6) is a disinfection byproduct in drinking water and a halobenzoquinone (HBQ) that has been reported to be cytotoxic to T24 bladder cancer cells. |
| Molecular Weight: | 176.98 |
| Molecular Formula: | C6H2Cl2O2 |
| Canonical SMILES: | C1=C(C(=O)C(=CC1=O)Cl)Cl |
| InChI: | InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H |
| InChI Key: | JCARTGJGWCGSSU-UHFFFAOYSA-N |
| Boiling Point: | 241.5 °C at 760 mmHg |
| Melting Point: | 122-124 °C (lit.) |
| Purity: | > 98.0 % (T) |
| Density: | 1.56 g/cm3 |
| Appearance: | Yellow crystalline powder |
| MDL: | MFCD00037159 |
| LogP: | 1.38360 |
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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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