Cas no 188867-90-5 (3-Azido-2-methylbenzonitrile)

3-Azido-2-methylbenzonitrile structure
3-Azido-2-methylbenzonitrile structure
Product Name:3-Azido-2-methylbenzonitrile
CAS No:188867-90-5
MF:C8H6N4
MW:158.160040378571
CID:2785908
PubChem ID:71348407
Update Time:2024-03-01

3-Azido-2-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Azido-2-methylbenzonitrile
    • Inchi: 1S/C8H6N4/c1-6-7(5-9)3-2-4-8(6)11-12-10/h2-4H,1H3
    • InChI Key: AQWLWVFETXYRFT-UHFFFAOYSA-N
    • SMILES: N(C1C=CC=C(C#N)C=1C)=[N+]=[N-]

Computed Properties

  • Exact Mass: 158.059246208g/mol
  • Monoisotopic Mass: 158.059246208g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 245
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 38.2
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