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Technology Process of 1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone

1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone

Base Information
  • Chemical Name:1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone
  • CAS No.:245426-70-4
  • Molecular Formula:C12H8 Cl N5 O2
  • Molecular Weight:289.6772
  • Hs Code.:
  • DSSTox Substance ID:DTXSID10415323
  • Wikidata:Q76295210
  • ChEMBL ID:CHEMBL35109,CHEMBL473489
  • Mol file:245426-70-4.mol
1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone

Synonyms:5CITEP;1-(5-CHLOROINDOL-3-YL)-3-HYDROXY-3-(2H-TETRAZOL-5-YL)-PROPENONE;CHEMBL473489;245426-70-4;(Z)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one;2-Propen-1-one, 1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-, (2Z)-;5-CITEP;SCHEMBL13427450;DTXSID10415323;BDBM50479093;DB03118;(2Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-propen-1-one;(Z)-1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one;2-Propen-1-one, 1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)- (9CI)

Suppliers and Price of 1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone
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Chemical Property of 1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone
Chemical Property:
  • Vapor Pressure:1.85E-16mmHg at 25°C 
  • Melting Point:250 °C 
  • Boiling Point:624.5°C at 760 mmHg 
  • PKA:3.12±0.10(Predicted) 
  • Flash Point:331.5°C 
  • PSA：107.55000 
  • Density:1.673g/cm3 
  • LogP:2.11620 
  • XLogP3:2.3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:289.0366522
  • Heavy Atom Count:20
  • Complexity:419
Purity/Quality:
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC2=C(C=C1Cl)C(=CN2)C(=CC(=O)C3=NNN=N3)O
  • Isomeric SMILES:C1=CC2=C(C=C1Cl)C(=CN2)/C(=C/C(=O)C3=NNN=N3)/O
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