2-Chlorohistidine

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Properties Simple | Detailed

Formula C6H8ClN3O2
IUPAC Name (2r)-2-amino-3-(2-chloroimidazol-3-ium-4-ylium-4-yl)propanoic acid
Molecular Mass 189.600 g·mol−1
Heat of Formation -256.3 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 207.39 Å 3
Surface Area 200.71 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey RJHXBCPMXIGGCP-SCSAIBSYSA-N
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Elements H C N O Cl