4-(4-{[(2R,4S)-4-(3-Chlorophenyl)-2-Oxido-1,3,2-Dioxaphosphinan-2-Yl]Methoxy}-2,6-Dimethylbenzyl)-2-Isopropylphenol

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Properties Simple | Detailed

Formula C28H32ClO5P
IUPAC Name 4-[[4-[[(2r,4s)-4-(3-chlorobenzene-4,5-diid-1-yl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethyl-phenyl]methyl]-2-isopropyl-cyclohexa-2,4-dien-1-one
Molecular Mass 514.977 g·mol−1
Heat of Formation -1045.8 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 613.07 Å 3
Surface Area 427.05 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[[(2r,4s)-4-(3-chlorophenyl)-2-keto-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]methoxy]-2,6-dimethyl-benzyl]-2-isopropyl-phenol
  • 4-[[4-[[(2r,4s)-4-(3-chlorophenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]methoxy]-2,6-dimethyl-phenyl]methyl]-2-isopropyl-phenol
  • 4-[[4-[[(2r,4s)-4-(3-chlorophenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]methoxy]-2,6-dimethyl-phenyl]methyl]-2-propan-2-yl-phenol
  • 4-[[4-[[(2r,4s)-4-(3-chlorophenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-isopropylphenol
  • 4-[[4-[[(2r,4s)-4-(3-chlorophenyl)-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
InChIKey LGGPZDRLTDGYSQ-JADSYQMUSA-N
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