Acifluorfen Metabolite

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Properties Simple | Detailed

Formula C15H9ClF3NO5
IUPAC Name methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
Molecular Mass 375.684 g·mol−1
Heat of Formation -997.6 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 370.99 Å 3
Surface Area 327.22 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid methyl ester
  • 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid methyl ester
  • benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, methyl ester
  • methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
CAS Number(s)
  • 50594-67-7
InChIKey AHGMXAFUHVRQAD-UHFFFAOYSA-N
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Elements C F H Cl O N