Cas no 354807-14-0 (3-methoxy-6-nitro-1H-Indole)

3-methoxy-6-nitro-1H-Indole structure
3-methoxy-6-nitro-1H-Indole structure
Product Name:3-methoxy-6-nitro-1H-Indole
CAS No:354807-14-0
MF:C9H8N2O3
MW:192.1714220047
CID:1111397
PubChem ID:15497969
Update Time:2025-04-20

3-methoxy-6-nitro-1H-Indole Chemical and Physical Properties

Names and Identifiers

    • 3-methoxy-6-nitro-1H-Indole
    • 354807-14-0
    • Inchi: 1S/C9H8N2O3/c1-14-9-5-10-8-4-6(11(12)13)2-3-7(8)9/h2-5,10H,1H3
    • InChI Key: WNAOMWJJXGEWRF-UHFFFAOYSA-N
    • SMILES: O(C)C1=CNC2C=C(C=CC=21)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 192.05349212g/mol
  • Monoisotopic Mass: 192.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 229
  • 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: 1.8
  • Topological Polar Surface Area: 70.8?2
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