4-Nitrophenyl 3-[(4-Bromo-3-Oxobutyl)Sulfonyl]Propanoate

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Properties Simple | Detailed

Formula C13H14BrNO7S
IUPAC Name (4-nitrophenyl) 3-(4-bromo-3-oxo-butyl)sulfonylpropanoate
Molecular Mass 408.222 g·mol−1
Heat of Formation -792.7 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 391.06 Å 3
Surface Area 360.56 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-bromo-3-keto-butyl)sulfonylpropionic acid (4-nitrophenyl) ester
  • 3-(4-bromo-3-oxobutanesulfonyl)-1-propionic acid 4-nitrophenyl ester
  • 3-(4-bromo-3-oxobutanesulfonyl)-1-propionic acid-4-nitrophenyl ester
  • 3-(4-bromo-3-oxobutyl)sulfonylpropanoic acid (4-nitrophenyl) ester
  • bspnp
  • propanoic acid, 3-((4-bromo-3-oxobutyl)sulfonyl)-, 4-nitrophenyl ester
CAS Number(s)
  • 76785-49-4
InChIKey GTTBHZGHAWBRMQ-UHFFFAOYSA-N
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Elements C H O N S Br