5-Nitro-1,2-Benzoxazole-3-Carboxylic Acid

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Formula C8H4N2O5
IUPAC Name 5-nitro-1,2-benzoxazole-3-carboxylic acid
Molecular Mass 208.128 g·mol−1
Heat of Formation -183.4 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 207.04 Å 3
Surface Area 203.09 Å 2
HOMO Energy -10.76 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry Cs
InChIKey UUBMWQIDSGAEKF-UHFFFAOYSA-N
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