Cas no 1094654-54-2 (3-bromo-4-methyl-1H-indole)

3-bromo-4-methyl-1H-indole structure
3-bromo-4-methyl-1H-indole structure
Product Name:3-bromo-4-methyl-1H-indole
CAS No:1094654-54-2
MF:C9H8BrN
MW:210.070521354675
MDL:MFCD11212291
CID:1004130
PubChem ID:43163568
Update Time:2025-09-28

3-bromo-4-methyl-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-methylindole
    • 3-bromo-4-methyl-1H-Indole
    • SCHEMBL18069130
    • AKOS009345473
    • 1094654-54-2
    • DB-014635
    • CS-0441066
    • EN300-1275481
    • DTXSID00655630
    • 3-bromo-4-methyl-1H-indole
    • MDL: MFCD11212291
    • Inchi: 1S/C9H8BrN/c1-6-3-2-4-8-9(6)7(10)5-11-8/h2-5,11H,1H3
    • InChI Key: LRPUTAYFKLABEX-UHFFFAOYSA-N
    • SMILES: BrC1=CNC2C=CC=C(C)C=21

Computed Properties

  • Exact Mass: 208.98400
  • Monoisotopic Mass: 208.98401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • 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: 3.1
  • Topological Polar Surface Area: 15.8?2

Experimental Properties

  • PSA: 15.79000
  • LogP: 3.23880

3-bromo-4-methyl-1H-indole Pricemore >>

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