Cas no 499983-77-6 (3-Bromo-1-methyl-1H-indole-2-carboxylic acid)

3-Bromo-1-methyl-1H-indole-2-carboxylic acid structure
499983-77-6 structure
Product Name:3-Bromo-1-methyl-1H-indole-2-carboxylic acid
CAS No:499983-77-6
MF:C10H8BrNO2
MW:254.080021858215
MDL:MFCD11099656
CID:1078650
PubChem ID:15290332
Update Time:2025-04-20

3-Bromo-1-methyl-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-1-methyl-1H-indole-2-carboxylic acid
    • 3-bromo-1-methylindole-2-carboxylic acid
    • 3-bromo-2-carboxy-1-methylindole
    • AG-A-57824
    • AGN-PC-00ORLB
    • BD-0701
    • bromomethylindolecarboxylicacid
    • CTK7I6115
    • E80289
    • MFCD11099656
    • AKOS005071827
    • 3-bromo-1-methyl-1H-indole-2-carboxylicacid
    • ZUA98377
    • Z382691608
    • 499983-77-6
    • DTXSID30571036
    • J-511818
    • CS-0452986
    • AB01007424-01
    • EN300-39199
    • MDL： MFCD11099656
    • Inchi： 1S/C10H8BrNO2/c1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14/h2-5H,1H3,(H,13,14)
    • InChI Key： IJYYDLASNYBAOR-UHFFFAOYSA-N
    • SMILES： BrC1=C(C(=O)O)N(C)C2C=CC=CC=21

Computed Properties

  • Exact Mass: 252.97384
  • Monoisotopic Mass: 252.97384g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 246
  • 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: 2.6
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Melting Point: 206-208°(dec)
  • Boiling Point: 425.1±30.0 °C at 760 mmHg
  • Flash Point: 210.9±24.6 °C
  • PSA: 42.23
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

3-Bromo-1-methyl-1H-indole-2-carboxylic acid Security Information

3-Bromo-1-methyl-1H-indole-2-carboxylic acid Pricemore >>

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