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沸點:
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643.3±65.0 °C(Predicted)
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密度:
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2.19±0.1 g/cm3(Predicted)
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酸度系數(shù)(pKa):
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13.05±0.70(Predicted)
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InChI:
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InChI=1/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/s3
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InChIKey:
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BIXYYZIIJIXVFW-MNXGLMFBNA-N
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SMILES:
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NC1=NC(Cl)=NC2N([C@@H]3[C@H]([C@@H](O)[C@H](CO)O3)O)C=NC1=2 |&1:8,9,10,12,r|
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