N-(Dichloroacetyl)-5-Nitro-L-Tryptophan

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Properties Simple | Detailed

Formula C13H11Cl2N3O5
IUPAC Name (2s)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-2h-indol-1-ium-2-ylium-3-yl)propanoic acid
Molecular Mass 360.150 g·mol−1
Heat of Formation -528.5 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 364.71 Å 3
Surface Area 291.66 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2,2-dichloroethanoylamino)-3-(5-nitro-1h-indol-3-yl)propanoic acid
  • (2s)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-(5-nitro-1h-indol-3-yl)propanoic acid
  • (2s)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1h-indol-3-yl)propanoic acid
  • (2s)-2-[(2,2-dichloroacetyl)amino]-3-(5-nitro-1h-indol-3-yl)propionic acid
  • dl-tryptophan, n-(dichloroacetyl)-5-nitro-
  • n-dichloroacetyl-5-nitrotryptophan
CAS Number(s)
  • 72787-23-6
InChIKey XQWHVNIKKBWIGG-JTQLQIEISA-N
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Elements H C N O Cl