2-Benzoyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione

Base Information

• Chemical Name: 2-Benzoyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione
• CAS No.: 412940-85-3
• Molecular Formula: C15H15ClO3
• Molecular Weight: 278.73
• DSSTox Substance ID: DTXSID10385416
• ChEMBL ID: CHEMBL1535071
• Mol file: 412940-85-3.mol

Synonyms:2-benzoyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione;412940-85-3;2-Benzoyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione;MLS001211922;CHEMBL1535071;SCHEMBL19283621;DTXSID10385416;HMS2833D16;AKOS000605269;AKOS024304673;SMR000515092;AB00075715-01

Chemical Property of 2-Benzoyl-4-chloro-5,5-dimethylcyclohexane-1,3-dione

Chemical Property:

• Vapor Pressure: 4.45E-08mmHg at 25°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 278.0709720
• Heavy Atom Count: 19
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(=O)C(C(=O)C1Cl)C(=O)C2=CC=CC=C2)C