2-[2-[(E)-2-(4-butan-2-ylphenyl)ethenyl]-5-nitroimidazol-1-yl]ethanol

Base Information

• Chemical Name: 2-[2-[(E)-2-(4-butan-2-ylphenyl)ethenyl]-5-nitroimidazol-1-yl]ethanol
• CAS No.: 30579-42-1
• Molecular Formula: C17H21 N3 O3
• Molecular Weight: 315.3669
• NSC Number: 271230
• DSSTox Substance ID: DTXSID50422334
• Mol file: 30579-42-1.mol

Synonyms:NSC271230;30579-42-1;DTXSID50422334;NSC-271230

Chemical Property of 2-[2-[(E)-2-(4-butan-2-ylphenyl)ethenyl]-5-nitroimidazol-1-yl]ethanol

Chemical Property:

• Vapor Pressure: 2.89E-12mmHg at 25°C
• Boiling Point: 534.8°C at 760 mmHg
• Flash Point: 277.2°C
• Density: 1.18g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 315.15829154
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC=C(C=C1)C=CC2=NC=C(N2CCO)[N+](=O)[O-]
• Isomeric SMILES: CCC(C)C1=CC=C(C=C1)/C=C/C2=NC=C(N2CCO)[N+](=O)[O-]

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