HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71328362Generated: October 29, 2026
1-Chloro-9,10-dioxo-1,2,9,10-tetrahydroanthracene-1-sulfonic acid
https://huagongshe.com/en/chemical/71328362
Identifiers & Physical Properties
| CAS No. | 91650-66-7 |
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| Molecular formula | C14H9ClO5S |
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| Average molar mass | 324.7 g/mol |
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| Monoisotopic mass | 323.9859223 g/mol |
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| SMILES | O=C1C2=C(C(=O)c3ccccc31)C(Cl)(S(=O)(=O)O)CC=C2 |
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| InChIKey | VQINMPCQGMPSOW-UHFFFAOYSA-N |
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| PubChem CID | 71328362 |
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| DTXSID | DTXSID40757324 |
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Chemical & Physical Properties
| XLogP | 1.5 |
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| Topological polar surface area | 96.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 21 |
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| Formal charge | 0 |
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| Complexity | 685 |
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