Cas no 53590-46-8 (Ethyl 4-chloro-1H-indole-2-carboxylate)

Ethyl 4-chloro-1H-indole-2-carboxylate structure
53590-46-8 structure
Product Name:Ethyl 4-chloro-1H-indole-2-carboxylate
CAS No:53590-46-8
MF:C11H10ClNO2
MW:223.655601978302
MDL:MFCD09264531
CID:838004
PubChem ID:11075028
Update Time:2025-04-19

Ethyl 4-chloro-1H-indole-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-chloro-1H-indole-2-carboxylate
    • ETHYL-4-CHLOROINDOLE-2-CARBOXYLATE
    • 4-Chlor-2-indolcarbonsaeureethylester
    • 4-Chlor-indol-2-carbonsaeure-aethylester
    • 4-chloro-1H-indole-2-carboxylic acid ethyl ester
    • 4-chloro-indole-2-carboxylic acid ethyl ester
    • Ethyl 4-chloroindole-2-carboxylate
    • Ethyl4-Chloro-2-indolecarboxylate
    • Ethyl 4-Chloro-2-indolecarboxylate
    • 1H-Indole-2-carboxylic acid, 4-chloro-, ethyl ester
    • XWNVSPGTJSGNPU-UHFFFAOYSA-N
    • VI30386
    • TRA0073467
    • SY020909
    • DTXSID70454314
    • SCHEMBL4044123
    • DA-17863
    • AKOS005254340
    • AS-8067
    • MFCD09264531
    • SB37552
    • 53590-46-8
    • CS-0103612
    • MDL: MFCD09264531
    • Inchi: 1S/C11H10ClNO2/c1-2-15-11(14)10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
    • InChI Key: XWNVSPGTJSGNPU-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC2=C1C=C(C(=O)OCC)N2

Computed Properties

  • Exact Mass: 223.04000
  • Monoisotopic Mass: 223.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 247
  • 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: 3.8
  • Topological Polar Surface Area: 42.1

Experimental Properties

  • Density: 1.329±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 168-170 oC
  • Boiling Point: 375.0±22.0℃ at 760 mmHg
  • Solubility: Almost insoluble (0.098 g/l) (25 o C),
  • PSA: 42.09000
  • LogP: 2.99800

Ethyl 4-chloro-1H-indole-2-carboxylate Pricemore >>

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