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沸點:
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657.1±50.0 °C(Predicted)
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密度:
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1.448±0.06 g/cm3(Predicted)
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酸度系數(shù)(pKa):
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13.36±0.46(Predicted)
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InChI:
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InChI=1S/C17H16ClN3O4S/c1-10(22)20-11-2-4-12(5-3-11)21-9-13(25-17(21)24)8-19-16(23)14-6-7-15(18)26-14/h2-7,13H,8-9H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1
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InChIKey:
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BXMKQFJSSNEYSN-ZDUSSCGKSA-N
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SMILES:
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C1(C(NC[C@@H]2OC(=O)N(C3=CC=C(NC(C)=O)C=C3)C2)=O)SC(Cl)=CC=1
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