Cas no 95306-84-6 (1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester)

1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester structure
95306-84-6 structure
Product Name:1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester
CAS No:95306-84-6
MF:C18H16ClNO2
MW:313.778143882751
CID:751896
PubChem ID:13295699
Update Time:2025-04-19

1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Indole-2-carboxylic acid, 5-chloro-1-(phenylmethyl)-, ethyl ester
    • ethyl 1-benzyl-5-chloroindole-2-carboxylate
    • RIOJHKOPSLXMTN-UHFFFAOYSA-N
    • 95306-84-6
    • ethyl 5-chloro-1-(phenylmethyl)-1h-indole-2-carboxylate
    • Ethyl 1-benzyl-5-chloro-1H-indole-2-carboxylate
    • DTXSID80535406
    • SCHEMBL1503984
    • 1-benzyl-5-chloroindole-2-carboxylic acid ethyl ester
    • Inchi: 1S/C18H16ClNO2/c1-2-22-18(21)17-11-14-10-15(19)8-9-16(14)20(17)12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
    • InChI Key: RIOJHKOPSLXMTN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC2=C(C=1)C=C(C(=O)OCC)N2CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 313.0869564g/mol
  • Monoisotopic Mass: 313.0869564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 383
  • 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: 4.8
  • Topological Polar Surface Area: 31.2?2
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