2,2-Dichloro-N-[3-Hydroxy-1-(4-Nitrophenyl)-1-Oxo-2-Propanyl]Acetamide

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Properties Simple | Detailed

Formula C11H4Cl2N2O5
IUPAC Name 3-[2-(dichloromethyl)-4-nitro-phenyl]-2-isocyanato-prop-1-ene-1,3-dione
Molecular Mass 315.066 g·mol−1
Heat of Formation 606.2 ± 16.7 kJ·mol−1
Dipole Moment 8.44 ± 1.08 D
Volume 300.73 Å 3
Surface Area 264.69 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -3.45 ± eV
Point Group Symmetry C1
InChIKey ZMCQNNUYRHSMAB-QMMMGPOBSA-N
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Elements C N O Cl