2-(4-Methylphenyl)-2-Oxoethyl 4-Nitrophenyl Methylphosphonate

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Properties Simple | Detailed

Formula C16H16NO6P
IUPAC Name 2-[methyl-(4-nitrophenoxy)phosphoryl]oxy-1-(p-tolyl)ethanone
Molecular Mass 349.275 g·mol−1
Heat of Formation -819.2 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 388.36 Å 3
Surface Area 302.38 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey YMDSFQNYSQXCJB-XMMPIXPASA-N
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