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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,2-[2-(4-fluorophenyl)ethenyl]-4-phenyl-
947534-77-2 structure

5-Thiazoleacetic acid,2-[2-(4-fluorophenyl)ethenyl]-4-phenyl-

Iupac Name:6-(3-bromophenyl)-3-methylimidazo[1,2-d][1,2,4]thiadiazole
CAS No.:947534-77-2
Molecular Weight:294.17
Molecular Formula:C19H26CL2N2O (isomer)
Names and Identifiers
Synonyms

2-(2-(4-Fluorophenyl)ethenyl)-4-phenyl-5-thiazoleacetic acid 2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid 5-Thiazoleacetic acid, 2-(2-(4-fluorophenyl)ethenyl)-4-phenyl- AC1O5243 LS-150740

Inchi
InChI=1S/C11H8BrN3S/c1-7-14-16-11-13-10(6-15(7)11)8-3-2-4-9(12)5-8/h2-6H,1H3
InChkey
CBWIRUXACZNZLF-UHFFFAOYSA-N
Canonical Smiles
CC1=NSC2=NC(=CN12)C3=CC(=CC=C3)Br
Properties
Density
1.67
Flash Point
°C
Computational chemical data
  • Molecular Weight:294.17g/mol
  • Molecular Formula:C19H26CL2N2O
  • Compound Is Canonicalized:True
  • Exact Mass:292.962
  • Monoisotopic Mass:292.962
  • Complexity:266
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.4A^2
  • Heavy Atom Count:16
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAABAEAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAWAAAB8AAAHARAQAABrAjBHwQ/kJcMGACk AzZnZACC0C0xEqwJ2CA4dLiIaKLAmRGUIAhogALIyjcQgIAOAAAAEAAAAAAAAAAgAAAAAAAAAAAA AA==
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