1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-

Base Information

• Chemical Name: 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-
• CAS No.: 98519-25-6
• Molecular Formula: C16H15Cl2N3O3
• Molecular Weight: 368.2146
• DSSTox Substance ID: DTXSID60243613
• Wikidata: Q76156022

Synonyms:1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-;trans-2-(5,7-Dichlor-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethyl-1,3-dioxolan;98519-25-6;DTXSID60243613;LS-155930

Chemical Property of 1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-

Chemical Property:

• Vapor Pressure: 3.75E-11mmHg at 25°C
• Boiling Point: 525.9°Cat760mmHg
• PKA: 2.94±0.12(Predicted)
• Flash Point: 271.9°C
• PSA: 62.31000
• Density: 1.54g/cm³
• LogP: 4.00950
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 367.0490467
• Heavy Atom Count: 24
• Complexity: 460

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1COC(O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
• Isomeric SMILES: CC[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=CC(=CC(=C4O3)Cl)Cl

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