O-(5-Amino-2-Chloro-4-Methylphenyl) Sec-Butyl(Chloromethyl)Phosphinothioate

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Properties Simple | Detailed

Formula C12H18Cl2NOPS
IUPAC Name 4-chloro-5-[chloromethyl-[(1r)-1-methylpropyl]phosphinothioyl]oxy-2-methyl-aniline
Molecular Mass 326.222 g·mol−1
Heat of Formation -388.8 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 371.04 Å 3
Surface Area 306.39 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey NNDMGAZBSIMXQD-XLFHBGCDSA-N
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