[(2S)-1-bromo-4-chloro-4-oxobutan-2-yl] acetate

Base Information

• Chemical Name: [(2S)-1-bromo-4-chloro-4-oxobutan-2-yl] acetate
• CAS No.: 191354-46-8
• Molecular Formula: C6H8 Br Cl O3
• Molecular Weight: 243.48
• DSSTox Substance ID: DTXSID001260382
• Mol file: 191354-46-8.mol

Synonyms:191354-46-8;[(2S)-1-bromo-4-chloro-4-oxobutan-2-yl] acetate;SCHEMBL4940791;DTXSID001260382;(3S)-3-(Acetyloxy)-4-bromobutanoyl chloride;Butanoyl chloride,3-(acetyloxy)-4-bromo-,(3S)-

Chemical Property of [(2S)-1-bromo-4-chloro-4-oxobutan-2-yl] acetate

Chemical Property:

• PSA: 43.37000
• LogP: 1.46850
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.93453
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-ACETOXY-4-BROMOBUTYRYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC(CC(=O)Cl)CBr
• Isomeric SMILES: CC(=O)O[C@@H](CC(=O)Cl)CBr