4-Bromo-3-Methoxy-2-Nitroestra-1(10),2,4-Trien-17-One

Molecule SVG Image

Properties Simple | Detailed

Formula C19H22BrNO4
IUPAC Name (8r,9s,13s,14s)-4-bromo-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 408.286 g·mol−1
Heat of Formation -327.2 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 415.68 Å 3
Surface Area 343.06 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-4-bromo-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 4-bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one
  • brmeneo
  • estra-1,3,5(10)-trien-17-one, 4-bromo-3-methoxy-2-nitro-
CAS Number(s)
  • 126291-42-7
InChIKey IWZBTBVKRYVUAZ-VNXHFNNKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br O N