alpha-Chlorosantonin

Base Information

• Chemical Name: alpha-Chlorosantonin
• CAS No.: 28136-94-9
• Molecular Formula: C15H17 Cl O3
• Molecular Weight: 280.7467
• NSC Number: 125344,293829
• DSSTox Substance ID: DTXSID80298680
• ChEMBL ID: CHEMBL2354883
• Mol file: 28136-94-9.mol

Synonyms:.alpha.-Chlorosantonin;MLS002919810;28136-94-9;NSC293829;CHEMBL2354883;DTXSID80298680;NSC125344;NSC-125344;NSC-293829;SMR001797410;Eudesma-1, 2-chloro-6.alpha.-hydroxy-3-oxo-, .gamma.-lactone, (11S)-;Naphtho[1,8(3H)-dione, 7-chloro-3a,4,5,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,9b.beta.)]-

Chemical Property of alpha-Chlorosantonin

Chemical Property:

• Vapor Pressure: 1.06E-08mmHg at 25°C
• Boiling Point: 461.6°Cat760mmHg
• Flash Point: 190.6°C
• PSA: 43.37000
• Density: 1.27g/cm³
• LogP: 2.98610
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 280.0866221
• Heavy Atom Count: 19
• Complexity: 546

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCC3(C=C(C(=O)C(=C3C2OC1=O)C)Cl)C