(3S,4R)-3-Chloro-4-(Chloromethyl)-1-[3-(Trifluoromethyl)Phenyl]-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C12H10Cl2F3NO
IUPAC Name (3s,4r)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Molecular Mass 312.115 g·mol−1
Heat of Formation -835.4 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 312.97 Å 3
Surface Area 281.04 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidone
InChIKey OQZCSNDVOWYALR-XVKPBYJWSA-N
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Elements C F H Cl O N