3-Chloro-2,4,6-cycloheptatrien-1-one

Base Information

• Chemical Name: 3-Chloro-2,4,6-cycloheptatrien-1-one
• CAS No.: 23131-78-4
• Molecular Formula: C7H5ClO
• DSSTox Substance ID: DTXSID001292105
• Nikkaji Number: J2.494.384D
• Mol file: 23131-78-4.mol

Synonyms:DTXSID001292105;3-Chloro-2,4,6-cycloheptatrien-1-one;23131-78-4

Chemical Property of 3-Chloro-2,4,6-cycloheptatrien-1-one

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.0028925
• Heavy Atom Count: 9
• Complexity: 211

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=O)C=C1)Cl