HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12868614Generated: November 4, 2026
4-(2-Chlorobenzoyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
https://huagongshe.com/en/chemical/12868614
Identifiers & Physical Properties
| CAS No. | 82671-84-9 |
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| Molecular formula | C17H13ClN2O2 |
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| Average molar mass | 312.7 g/mol |
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| Monoisotopic mass | 312.0665554 g/mol |
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| SMILES | Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1ccccc1Cl |
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| InChIKey | IMSJQIJJSOXWJW-UHFFFAOYSA-N |
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| PubChem CID | 12868614 |
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| DTXSID | DTXSID80511942 |
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Chemical & Physical Properties
| XLogP | 4 |
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| Topological polar surface area | 49.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 22 |
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| Formal charge | 0 |
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| Complexity | 497 |
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