6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole | SBID = 556 | Compound | Custom Molecule

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C8H10BrNO
M / g/mol: 216.08
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
  • Preferred Abbreviation: 6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
  • IUPAC Name: 6-bromo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole
  • CAS:
  • CID: -129
  • InChiKey: YQAOKMOOBMHOKV-UHFFFAOYSA-N
  • InChi: InChI=1S/C8H10BrNO/c9-8-2-1-7(11-8)5-10-4-6(7)3-8/h1-2,6,10H,3-5H2
  • CanoSmiles: BrC12C=CC3(O2)CNCC3C1
  • IsoSmiles: BrC12C=CC3(O2)CNCC3C1