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沸点:
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713.4±60.0 °C(Predicted)
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密度:
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1.62±0.1 g/cm3(Predicted)
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溶解度:
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DMSO (Slightly), Water (Slightly, Sonicated)
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形态:
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Solid
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酸度系数(pKa):
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1.95±0.50(Predicted)
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颜色:
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Pale Yellow
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InChI:
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InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10+,14+/s3
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InChIKey:
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QYIYFLOTGYLRGG-SGYQERQLNA-N
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SMILES:
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O=C1[C@@H](NC(=O)[C@H](C2C=CC=CC=2)N)[C@@]2([H])SCC(Cl)=C(C(=O)O)N12 |&1:2,6,14,r|
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