3-[(3-Chloro-4-Hydroxyphenyl)Amino]-4-(2-Nitrophenyl)-1H-Pyrrole-2,5-Dione

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Properties Simple | Detailed

Formula C16H10ClN3O5
IUPAC Name 3-(3-chloro-4-hydroxy-anilino)-4-(2-nitrophenyl)pyrrole-2,5-dione
Molecular Mass 359.721 g·mol−1
Heat of Formation -274.4 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 375.93 Å 3
Surface Area 297.85 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrol-2,5-dione, 3-((3-chloro-4-hydroxyphenyl)amino)-4-(2-nitrophenyl)-
  • 3-(3-chloro-4-hydroxyphenylamino)-4-(4-nitrophenyl)-1h-pyrrole-2,5-dione
  • 3-[(3-chloro-4-hydroxy-phenyl)amino]-4-(2-nitrophenyl)-3-pyrroline-2,5-quinone
  • 3-[(3-chloro-4-hydroxy-phenyl)amino]-4-(2-nitrophenyl)pyrrole-2,5-dione
  • 3-[(3-chloro-4-hydroxyphenyl)- amino]-4-(2-nitrophenyl)-1h-pyrrol-2,5-dione
  • 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-nitrophenyl)pyrrole-2,5-dione
  • bcbcmap01_000113
  • bio2_000236
  • bio2_000716
  • sb 415286
  • sb-415286
  • tocris-1617
CAS Number(s)
  • 264218-23-7
InChIKey PQCXVIPXISBFPN-UHFFFAOYSA-N
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Elements H C N O Cl