HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178635515Generated: November 3, 2026
5-(3-Chloro-phenyl)-3-methyl-isoxazole-4-carboxylic acid methyl ester
Methyl 5-(3-chlorophenyl)-3-methylisoxazole-4-carboxylate · methyl 5-(3-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate · 5-(3-Chloro-phenyl)-3-methyl-isoxazole-4-carboxylic acid methyl ester · 4-Isoxazolecarboxylic acid, 5-(3-chlorophenyl)-3-methyl-, methyl ester
https://huagongshe.com/en/chemical/178635515
Identifiers & Physical Properties
| CAS No. | 1208081-71-3 |
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| Molecular formula | C12H10ClNO3 |
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| Average molar mass | 251.66 g/mol |
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| Monoisotopic mass | 251.0349209 g/mol |
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| SMILES | COC(=O)c1c(C)noc1-c1cccc(Cl)c1 |
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| InChIKey | UEJYPOXUSXCAOD-UHFFFAOYSA-N |
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| PubChem CID | 57362609 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 52.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 17 |
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| Formal charge | 0 |
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| Complexity | 287 |
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| Boiling point | 388.3±42.0 °C(Predicted) |
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| Density | 1.278±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | -4.29±0.50(Predicted) |
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| Customs code | 2934999090 |
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