Cas no 220664-31-3 (Methyl 3-bromo-1H-indole-2-carboxylate)

Methyl 3-bromo-1H-indole-2-carboxylate structure
220664-31-3 structure
Product Name:Methyl 3-bromo-1H-indole-2-carboxylate
CAS No:220664-31-3
MF:C10H8BrNO2
MW:254.080021858215
MDL:MFCD03844858
CID:243991
PubChem ID:2764320
Update Time:2025-04-19

Methyl 3-bromo-1H-indole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-bromo-1H-indole-2-carboxylate
    • Methyl 3-Bromoindole-2-carboxylate
    • 1H-Indole-2-carboxylicacid, 3-bromo-, methyl ester
    • 3-Bromo-1H-indole-2-carboxylic acid methyl ester
    • methylbromoindolecarboxylate
    • Methyl3-Bromoindole-2-carboxylate
    • SBB054065
    • TRA0024771
    • RP14420
    • SY006240
    • EN000578
    • ST2407196
    • AB1000718
    • W4554
    • ST50949783
    • AKOS005071162
    • DTXSID00377401
    • VIA66431
    • CS-0044440
    • 7W-0815
    • SCHEMBL3879382
    • MFCD03844858
    • 220664-31-3
    • A878759
    • J-522148
    • FT-0680601
    • DB-014259
    • Methyl-3-bromo-1H-indole-2-carboxylate
    • MDL: MFCD03844858
    • Inchi: 1S/C10H8BrNO2/c1-14-10(13)9-8(11)6-4-2-3-5-7(6)12-9/h2-5,12H,1H3
    • InChI Key: FSLMMQAVWOFUOM-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=O)OC)NC2C=CC=CC=21

Computed Properties

  • Exact Mass: 252.97400
  • Monoisotopic Mass: 252.974
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 234
  • 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
  • Topological Polar Surface Area: 42.1
  • XLogP3: 2.9

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.629
  • Melting Point: 151-153°C
  • Boiling Point: 378.787°C at 760 mmHg
  • Flash Point: 182.884℃
  • Refractive Index: 1.666
  • PSA: 42.09000
  • LogP: 2.71700
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Methyl 3-bromo-1H-indole-2-carboxylate Security Information

Methyl 3-bromo-1H-indole-2-carboxylate Pricemore >>

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