Cas no 726174-45-4 ((5-Bromo-1H-indol-1-YL)-acetic acid ethyl ester)

(5-Bromo-1H-indol-1-YL)-acetic acid ethyl ester structure
726174-45-4 structure
Product Name:(5-Bromo-1H-indol-1-YL)-acetic acid ethyl ester
CAS No:726174-45-4
MF:C12H12BrNO2
MW:282.133182525635
CID:2359960
PubChem ID:43152067
Update Time:2024-10-27

(5-Bromo-1H-indol-1-YL)-acetic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • ethyl (5-bromo-1H-indol-1-yl)acetate
    • (5-BROMO-1H-INDOL-1-YL)-ACETIC ACID ETHYL ESTER
    • 1H-Indole-1-acetic acid, 5-bromo-, ethyl ester
    • ASRCALVKWKRKTR-UHFFFAOYSA-N
    • 5-Bromo-1-indoleacetic acid ethyl ester
    • (5-Bromo-indol-1-yl)-acetic acid ethyl ester
    • ethyl 2-(5-bromoindol-1-yl)acetate
    • MFCD11205770
    • DB-208533
    • 726174-45-4
    • (5-BROMO-1H-INDOL-1-YL)-ACETICACIDETHYLESTER
    • Ethyl 5-Bromoindole-1-acetate
    • CS-0141283
    • ethyl 2-(5-bromo-1H-indol-1-yl)acetate
    • SCHEMBL4485443
    • BS-32734
    • (5-Bromo-1H-indol-1-YL)-acetic acid ethyl ester
    • MDL： MFCD11205770
    • Inchi： 1S/C12H12BrNO2/c1-2-16-12(15)8-14-6-5-9-7-10(13)3-4-11(9)14/h3-7H,2,8H2,1H3
    • InChI Key： ASRCALVKWKRKTR-UHFFFAOYSA-N
    • SMILES： BrC1C=CC2=C(C=1)C=CN2CC(=O)OCC

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: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 259
  • 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: 31.2
  • XLogP3: 3.1

(5-Bromo-1H-indol-1-YL)-acetic acid ethyl ester Pricemore >>

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