Ethyl (2Z)-3-[5-(2-Amino-5-Chlorophenyl)-1H-1,2,4-Triazol-1-Yl]Acrylate

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Properties Simple | Detailed

Formula C13H13ClN4O2
IUPAC Name ethyl (z)-3-[5-(2-amino-5-chloro-phenyl)-4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl]prop-2-enoate
Molecular Mass 292.721 g·mol−1
Heat of Formation -22.9 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 329.24 Å 3
Surface Area 300.61 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-[5-(2-amino-5-chloro-phenyl)-1,2,4-triazol-1-yl]acrylic acid ethyl ester
  • (z)-3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid ethyl ester
  • 2-propenoic acid, 3-[5-(2-amino-5-chlorophenyl)-1h-1,2,4-triazol-1-yl]-, ethyl ester, (2z)-
  • ethyl (z)-3-[5-(2-amino-5-chloro-phenyl)-1,2,4-triazol-1-yl]prop-2-enoate
  • ethyl (z)-3-[5-(2-amino-5-chlorophenyl)-1,2,4-triazol-1-yl]prop-2-enoate
  • pkf050-638
InChIKey QWVNYBWNXRRADG-WAYWQWQTSA-N
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Elements H C N O Cl