1-Bromopentan-3-one

Base Information

• Chemical Name: 1-Bromopentan-3-one
• CAS No.: 42754-13-2
• Molecular Formula: C5H9BrO
• Molecular Weight: 165.02800
• DSSTox Substance ID: DTXSID20566350
• Wikidata: Q82451938
• Mol file: 42754-13-2.mol

Synonyms:1-bromopentan-3-one;42754-13-2;3-bromo-a-methyl-2-butanone;SCHEMBL2001325;DTXSID20566350;EN300-7581866

Chemical Property of 1-Bromopentan-3-one

Chemical Property:

• PSA: 17.07000
• LogP: 1.75050
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 163.98368
• Heavy Atom Count: 7
• Complexity: 61.1

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)CCBr