Bromoacetyltrichodermin

Base Information

• Chemical Name: Bromoacetyltrichodermin
• CAS No.: 98064-99-4
• Molecular Formula: C17H23BrO4
• Molecular Weight: 371.2661
• DSSTox Substance ID: DTXSID60913480
• Mol file: 98064-99-4.mol

Synonyms:(bromoacetyl)trichodermin;bromoacetyltrichodermin

Chemical Property of Bromoacetyltrichodermin

Chemical Property:

• Vapor Pressure: 2.65E-07mmHg at 25°C
• Boiling Point: 421.2°Cat760mmHg
• Flash Point: 208.5°C
• PSA: 48.06000
• Density: 1.43g/cm³
• LogP: 2.98590
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 370.07797
• Heavy Atom Count: 22
• Complexity: 561

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)CBr)C)C
• Isomeric SMILES: CC1=C[C@@H]2[C@](CC1)(C3([C@@H](C[C@H](C34CO4)O2)OC(=O)CBr)C)C

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