4-Chloro-3-buten-2-one

Base Information

• Chemical Name: 4-Chloro-3-buten-2-one
• CAS No.: 4643-20-3
• Molecular Formula: C4H5ClO
• Molecular Weight: 104.536
• DSSTox Substance ID: DTXSID601345768
• Nikkaji Number: J354.964J,J371.697J
• Wikidata: Q63408734
• Mol file: 4643-20-3.mol

Synonyms:4-Chloro-3-buten-2-one;4643-20-3;(E)-4-CHLORO-3-BUTEN-2-ONE;methyl b-chlorovinyl ketone;SCHEMBL587546;DTXSID601345768;3-Buten-2-one, 4-chloro-, (3E)-;(3E)-4-CHLOROBUT-3-EN-2-ONE;EN300-1725639;Q63408734

Chemical Property of 4-Chloro-3-buten-2-one

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.0028925
• Heavy Atom Count: 6
• Complexity: 75.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CCl
• Isomeric SMILES: CC(=O)/C=C/Cl