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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methylphenyl)-
1049791-81-2 structure

5-Thiazoleacetic acid,2-[2-(3,4-dichlorophenyl)ethenyl]-4-(4-methylphenyl)-

Iupac Name:2-(5-chloro-2-pyridin-3-yl-1H-indol-3-yl)ethanamine;hydrochloride
CAS No.:1049791-81-2
Molecular Weight:308.206
Molecular Formula:C5H8N2O4 (isomer)
Names and Identifiers
Synonyms

2-(2-(3,4-Dichlorophenyl)ethenyl)-4-(4-methylphenyl)-5-thiazoleacetic acid 2-[2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid 5-Thiazoleacetic acid, 2-(2-(3,4-dichlorophenyl)ethenyl)-4-(4-methylphenyl)- AC1O525Z LS-150727

Inchi
InChI=1S/C15H14ClN3.ClH/c16-11-3-4-14-13(8-11)12(5-6-17)15(19-14)10-2-1-7-18-9-10;/h1-4,7-9,19H,5-6,17H2;1H
InChkey
FWOLBQAWTDXCBO-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CN=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)CCN.Cl
Properties
Boiling Point
310°C(lit.)
Flash Point
217.2°C
HS Code
2933990090
Computational chemical data
  • Molecular Weight:308.206g/mol
  • Molecular Formula:C5H8N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:307.064
  • Monoisotopic Mass:307.064
  • Complexity:299
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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