Isoobtusol

Base Information

• Chemical Name: Isoobtusol
• CAS No.: 73494-23-2
• Molecular Formula: C15H23Br2ClO
• Molecular Weight: 414.60352
• ChEMBL ID: CHEMBL522562
• DSSTox Substance ID: DTXSID60223713
• Metabolomics Workbench ID: 142080
• Nikkaji Number: J12.103G
• Wikidata: Q83102199
• Mol file: 73494-23-2.mol

Synonyms:iso-obtusol;isoobtusol

Chemical Property of Isoobtusol

Chemical Property:

• PSA: 20.23000
• LogP: 5.02820
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 413.97837
• Heavy Atom Count: 19
• Complexity: 398

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(CC(=C)C12CCC(C(C2)Cl)(C)Br)O)Br)C
• Isomeric SMILES: C[C@@]1(CC[C@@]2(C[C@@H]1Cl)C(=C)C[C@@H]([C@@H](C2(C)C)Br)O)Br

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