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

Base Information

• Chemical Name: 1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-
• CAS No.: 98519-43-8
• Molecular Formula: C16H16ClN3O3
• Molecular Weight: 333.7695
• DSSTox Substance ID: DTXSID70243624
• Wikidata: Q83127719

Synonyms:1H-1,2,4-Triazole, 1-((2-(5-chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-, trans-;trans-1-((2-(5-Chloro-2-benzofuranyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole;trans-2-(5-Chloro-benzofuran-2-yl)-2-(1-(1H-1,2,4-triazolyl)-methyl)-4-ethyl-1,3-dioxolan;98519-43-8;C16-H16-Cl-N3-O3;DTXSID70243624;LS-155874

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

Chemical Property:

• Vapor Pressure: 3.61E-10mmHg at 25°C
• Boiling Point: 501°Cat760mmHg
• Flash Point: 256.8°C
• Density: 1.45g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 333.0880191
• Heavy Atom Count: 23
• Complexity: 429

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1COC(O1)(CN2C=NC=N2)C3=CC4=C(O3)C=CC(=C4)Cl
• Isomeric SMILES: CC[C@H]1CO[C@@](O1)(CN2C=NC=N2)C3=CC4=C(O3)C=CC(=C4)Cl

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