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Substance Detail CAS Registry Number 2140-79-6 Key Physical Properties Value Condition Molecular Weight 281.27 - Melting Point (Experimental) 204-206 °C - Boiling Point (Predicted) 623.8±65.0 °C Press: 760 Torr Density (Predicted) 1.84±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 13.13±0.70 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O Isomeric SMILES O (c) [c @ h] 1 [c @ h] (N2C = 3C (n = 3C) = c (n) n = cn3) o [c @ h] (co) [... -
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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) nc32) c = 4C = cc = cc4) c1occoc) coc (c = 5c = cc = cc5) (c6 = cc = cc) c = c6) c7 = c6) c = c7) n (c (c) c) c (c) c (c) C (oc [c @@ h] 1 [c @@ h] c (c) c) occc # n) [c) c) [c) c) [c) c) [c) c) [c ") [c) [c) [c) [c) [c) [c)" [c)) [c)) [c)) [c)) (n) -
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Substance Detail CAS Registry Number 146954-75-8 Key Physical Properties Value Condition Molecular Weight 748.78 - pKa (Predicted) 9.39±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(=O)NC5=O)N(C(C)C)C(C)C Isomeric SMILES C (oc [c @@ h] 1 [c @@ c) c) occc # n) [c) c) [c) c) [c) c) [c) c) [c) [c) c) [c) c) [c)> [c) c) [c = h] c = c = c = c (cc = c) c = c4) c5 = cc = cc = c5 Inchi inchi = 1s / c39h46fn4o5p / c1 -... -
Substance Detail CAS Registry Number 144089-97-4 Key Physical Properties Value Condition Molecular Weight 857.91 - pKa (Predicted) 9.16±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N # CCCOP (OC1C (F) C (oc1coc (cc = cc) c = c3) c = c3) c = c3) c = c3) c = c3) c = c3) n5c = nc = n = c (o) n = nc65) n (c (c) c) c (c) c (c (c) c) C (oc [c @@ h] 1 [c @@ h] c (c) c) occc # n) [c) c) [c) c) [c) c) [c) c) [c) n) [c) n) [c) n) [c) n) [c) n] (c) c) = C4) (C5 = CC = c (oc) c = c5) c6 = cc = ... -
Substance Detail CAS Registry Number 136834-22-5 Key Physical Properties Value Condition Molecular Weight 875.92 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N # CCCOP (OC1C (F) C (CC = CC = CC) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) C4 = C3) NC (= O) C = 7C = CC = CC) C (c) c (c) c (c) c (c) c (c) c (c) c (c) C (oc [c @@ h] 1 [c @@ h] c (c) c) occc # n) [c) c) [c) c) [c) c) [c) n) [c) n) [c) n) [n = h] (n] n] (n = h] (n) (OC) C = C5) (C6 = CC = C (OC) C = c ...
