(2S)-3-Bromo-2-methylpropanoic acid

Base Information

• Chemical Name: (2S)-3-Bromo-2-methylpropanoic acid
• CAS No.: 81026-68-8
• Molecular Formula: C4H7BrO2
• Molecular Weight: 167.00100
• DSSTox Substance ID: DTXSID80509187
• Nikkaji Number: J56.916J
• Wikidata: Q82366593

Synonyms:81026-68-8;(S)-3-Bromo-2-methylpropanoic acid;(2S)-3-Bromo-2-methylpropanoic acid;SCHEMBL4427437;DTXSID80509187

Chemical Property of (2S)-3-Bromo-2-methylpropanoic acid

Chemical Property:

• Boiling Point: 69 - 70 °C (0.1 mmHg)
• PSA: 37.30000
• Density: 1.625±0.06 g/cm3(Predicted)
• LogP: 1.10200
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.96294
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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