Cas no 81471-20-7 (3-bromo-1-methyl-1H-indole)

3-bromo-1-methyl-1H-indole structure
3-bromo-1-methyl-1H-indole structure
Product Name:3-bromo-1-methyl-1H-indole
CAS No:81471-20-7
MF:C9H8BrN
MW:210.070521354675
MDL:MFCD11102957
CID:703877
PubChem ID:13357736
Update Time:2025-04-19

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

Names and Identifiers

    • 1H-Indole, 3-bromo-1-methyl-
    • 3-bromo-1-methyl-1H-indole
    • 3-bromo-1-methylindole
    • EN300-171373
    • SAYZMFSSIBFGNW-UHFFFAOYSA-N
    • SCHEMBL1891947
    • DTXSID90538145
    • MB09274
    • 81471-20-7
    • CS-0054243
    • AKOS009311695
    • MDL: MFCD11102957
    • Inchi: 1S/C9H8BrN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3
    • InChI Key: SAYZMFSSIBFGNW-UHFFFAOYSA-N
    • SMILES: BrC1=CN(C)C2C=CC=CC=21

Computed Properties

  • Exact Mass: 208.98401g/mol
  • Monoisotopic Mass: 208.98401g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • 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
  • Topological Polar Surface Area: 4.9?2

Experimental Properties

  • Density: 1.47±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.42 g/l) (25 o C),

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