Bicyclo[3.2.1]octane-2,4-dione, 3-[2-chloro-4-(methylsulfonyl)benzoyl]-

Base Information

• Chemical Name: Bicyclo[3.2.1]octane-2,4-dione, 3-[2-chloro-4-(methylsulfonyl)benzoyl]-
• CAS No.: 126656-88-0
• Molecular Formula: C16H15ClO5S
• Molecular Weight: 354.80500
• DSSTox Substance ID: DTXSID60458907
• Nikkaji Number: J2.661.434A
• Mol file: 126656-88-0.mol

Synonyms:126656-88-0;Bicyclo[3.2.1]octane-2,4-dione, 3-[2-chloro-4-(methylsulfonyl)benzoyl]-;3-(2-chloro-4-methylsulfonylbenzoyl)bicyclo[3.2.1]octane-2,4-dione;3-[2-Chloro-4-(methylsulfonyl)benzoyl]bicyclo[3.2.1]octane-2,4-dione;SCHEMBL8943111;DTXSID60458907;MEFVXFJMVNQBSS-UHFFFAOYSA-N

Chemical Property of Bicyclo[3.2.1]octane-2,4-dione, 3-[2-chloro-4-(methylsulfonyl)benzoyl]-

Chemical Property:

• Boiling Point: 597.7±50.0 °C(Predicted)
• PKA: 3.99±0.20(Predicted)
• PSA: 93.73000
• Density: 1.438
• LogP: 3.19130
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 354.0328724
• Heavy Atom Count: 23
• Complexity: 628

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)C3CCC(C3)C2=O)Cl

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