2114-00-3 | 2-Bromopropiophenone

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Description

• Catalog Number: AB20766
• Chemical Name: 2-Bromopropiophenone
• CAS Number: 2114-00-3
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.0712
• MDL Number: MFCD00000145
• SMILES: CC(C(=O)c1ccccc1)Br
• NSC Number: 89689

Computed Properties

• Complexity: 139
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Undefined Atom Stereocenter Count: 1
• XLogP3: 2.8

Literature

• The analysis of substituted cathinones. Part 2: an investigation into the phenylacetone based isomers of 4-methylmethcathinone and N-ethylcathinone.

  Forensic science international 20111010

• Probing the Lewis acidity and catalytic activity of the metal-organic framework [Cu3(btc)2] (BTC=benzene-1,3,5-tricarboxylate).

  Chemistry (Weinheim an der Bergstrasse, Germany) 20060925