2-(2-Carboxyethyl)-5-Chloro-4-Nitro-L-Phenylalanine

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Properties Simple | Detailed

Formula C12H13ClN2O6
IUPAC Name (2s)-2-amino-3-[2-(2-carboxyethyl)-5-chloro-4-nitro-phenyl]propanoic acid
Molecular Mass 316.694 g·mol−1
Heat of Formation -775.8 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 341.39 Å 3
Surface Area 301.59 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
InChIKey DRCLPFURMHGQPC-VIFPVBQESA-N
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Elements H C N O Cl