4-[3-(Trifluoromethyl)-3H-Diaziren-3-Yl]-L-Phenylalanine

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Properties Simple | Detailed

Formula C11H10F3N3O2
IUPAC Name (2s)-2-amino-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoic acid
Molecular Mass 273.211 g·mol−1
Heat of Formation -538.9 ± 16.7 kJ·mol−1
Dipole Moment 2.46 ± 1.08 D
Volume 299.0 Å 3
Surface Area 259.94 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propionic acid
InChIKey HRGXDARRSCSGOG-QMMMGPOBSA-N
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