(2R,3R)-2-[(Dichloroacetyl)Amino]-3-Hydroxy-3-(4-Nitrophenyl)Propyl Bromoacetate

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Properties Simple | Detailed

Formula C13H13BrCl2N2O6
IUPAC Name [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-bromoacetate
Molecular Mass 444.062 g·mol−1
Heat of Formation -744.3 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 407.39 Å 3
Surface Area 332.26 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromoacetic acid [(2r,3r)-2-[(2,2-dichloro-1-oxoethyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester
  • 2-bromoacetic acid [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester
  • 3-(bromoacetyl)chloramphenicol
  • 3-bacap
  • [(2r,3r)-2-(2,2-dichloroethanoylamino)-3-hydroxy-3-(4-nitrophenyl)propyl] 2-bromoethanoate
  • [(2r,3r)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 2-bromoacetate
  • acetic acid, bromo-, 2-((dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl ester, (r-(r*,r*))-
CAS Number(s)
  • 95610-68-7
InChIKey NOHAVVOMYSMIKP-MWLCHTKSSA-N
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Elements C Cl H O N Br