7-Azabicyclo[4.2.0]octa-1,3,5-triene

Base Information

• Chemical Name: 7-Azabicyclo[4.2.0]octa-1,3,5-triene
• CAS No.: 4438-32-8
• Molecular Formula: C7H5 N
• Molecular Weight: 103.12
• DSSTox Substance ID: DTXSID50570142
• Nikkaji Number: J688.501B
• Wikidata: Q82457497

Synonyms:7-Azabicyclo[4.2.0]octa-1,3,5-triene;benzoazetidine;4438-32-8;SCHEMBL2041999;DTXSID50570142;AKOS006354617

Chemical Property of 7-Azabicyclo[4.2.0]octa-1,3,5-triene

Chemical Property:

• PSA: 12.03000
• LogP: 1.75010
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 105.057849228
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: C1C2=CC=CC=C2N1

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