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Substance Detail CAS Registry Number 251647-53-7 H302 Key Physical Properties Value Condition Molecular Weight 932.01 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC) C=C7)N(C(C)C)C(C)C Isomeric SMILES C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5 = Cc = c (oc) c = c5) (c ... -
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Substance Detail CAS Registry Number 199593-09-4 Key Physical Properties Value Condition Molecular Weight 801.87 - pKa (Predicted) 10.18±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=CC(= Nc2 = o) nc (= o) c) c1Oc) coc (c = 3c = cc = c4 = c5 = c5) n (c) c (c) c (c) c (c) c (c) c) C (OC [C @@@ H] 1 [C @@ H] (c) N = C) (OC) (OC) (OC) (OC) C = C3) (C3 = CC = C (oc) c = c4) c5 = c4 = cc = cc = c5 incii incii = 1s / ... -
Substance Detail CAS Registry Number 110764-79-9 H335, H331, H319, H315, H311, H301+H311+H331, H301 Key Physical Properties Value Condition Molecular Weight 760.81 - pKa (Predicted) 9.39±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)N(C(C)C)C(C)C Isomeric SMILES C (OC [C @@@ H] 1 [C @@ h] (C) (= OC) (OC @ = c3 = c3 = c3) (c3 = c3) (C3) (C3) (C3) (C3) (C3) (C3) (C3) (C3) -
