Cas no 924869-15-8 (Methyl 3-bromo-1-(cyanomethyl)-1H-indole-2-carboxylate)

Methyl 3-bromo-1-(cyanomethyl)-1H-indole-2-carboxylate structure
924869-15-8 structure
Product Name:Methyl 3-bromo-1-(cyanomethyl)-1H-indole-2-carboxylate
CAS No:924869-15-8
MF:C12H9BrN2O2
MW:293.116061925888
MDL:MFCD08444032
CID:3143211
PubChem ID:18526128
Update Time:2025-04-21

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

Names and Identifiers

    • Methyl 3-bromo-1-(cyanomethyl)-1H-indole-2-carboxylate
    • methyl 3-bromo-1-(cyanomethyl)indole-2-carboxylate
    • EA-0841
    • AKOS005072343
    • 924869-15-8
    • CS-0330271
    • MFCD08444032
    • MDL： MFCD08444032
    • Inchi： 1S/C12H9BrN2O2/c1-17-12(16)11-10(13)8-4-2-3-5-9(8)15(11)7-6-14/h2-5H,7H2,1H3
    • InChI Key： KYHSJAFLJLCAMD-UHFFFAOYSA-N
    • SMILES： BrC1=C(C(=O)OC)N(CC#N)C2C=CC=CC=21

Computed Properties

  • Exact Mass: 291.98474Da
  • Monoisotopic Mass: 291.98474Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 352
  • 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: 2.8
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Melting Point: 170-172°C

Methyl 3-bromo-1-(cyanomethyl)-1H-indole-2-carboxylate Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

Methyl 3-bromo-1-(cyanomethyl)-1H-indole-2-carboxylate Pricemore >>

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