Cas no 91844-20-1 (Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate)

Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate structure
91844-20-1 structure
Product Name:Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate
CAS No:91844-20-1
MF:C12H12BrNO2
MW:282.133182525635
MDL:MFCD09027165
CID:1027326
PubChem ID:11637730
Update Time:2025-04-20

Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate
    • 5-bromo-1-methyl-1H-indole-2-carboxylic acid
    • MFCD09027165
    • J-521113
    • AT32176
    • FT-0708273
    • AM20041408
    • RLEUBLNVHZTFOH-UHFFFAOYSA-N
    • 91844-20-1
    • AKOS005073149
    • KA-0922
    • 5-bromo-1-methyl-1H-indole-2-carboxylic acid ethyl ester
    • ethyl 5-bromo-1-methylindole-2-carboxylate
    • SCHEMBL1096993
    • DTXSID30469848
    • DA-33784
    • MDL: MFCD09027165
    • Inchi: 1S/C12H12BrNO2/c1-3-16-12(15)11-7-8-6-9(13)4-5-10(8)14(11)2/h4-7H,3H2,1-2H3
    • InChI Key: RLEUBLNVHZTFOH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C=C(C(=O)OCC)N2C

Computed Properties

  • Exact Mass: 281.00514g/mol
  • Monoisotopic Mass: 281.00514g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 272
  • 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: 3.2
  • Topological Polar Surface Area: 31.2?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 441.1±25.0 °C at 760 mmHg
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate Security Information

Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate Pricemore >>

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