21,21-Dichloropregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H28Cl2O2
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-(2,2-dichloroacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 383.352 g·mol−1
Heat of Formation -513.5 ± 16.7 kJ·mol−1
Dipole Moment 1.05 ± 1.08 D
Volume 452.09 Å 3
Surface Area 353.96 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-(2,2-dichloro-1-oxoethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-(2,2-dichloroacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-(2,2-dichloroethanoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 21,21-dcp
  • 21,21-dichloroprogesterone
  • pregn-4-ene-3,20-dione, 21,21-dichloro-
CAS Number(s)
  • 117038-59-2
InChIKey FDEHPBNJFZBCBX-GQDVPIKJSA-N
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