N-[(1-Chloro-4-Hydroxy-3-Isoquinolinyl)Carbonyl]Glycine

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Properties Simple | Detailed

Formula C12H9ClN2O4
IUPAC Name 2-[(z)-[[(3s)-1-chloro-4-oxo-3h-isoquinolin-3-yl]-hydroxy-methylene]amino]acetic acid
Molecular Mass 280.664 g·mol−1
Heat of Formation -458.7 ± 16.7 kJ·mol−1
Dipole Moment 9.96 ± 1.08 D
Volume 292.55 Å 3
Surface Area 269.91 Å 2
HOMO Energy -10.43 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1-chloro-4-hydroxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
  • 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
  • 2-[[(1-chloro-4-hydroxy-3-isoquinolyl)-oxomethyl]amino]acetic acid
  • n-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine
InChIKey OUQVKRKGTAUJQA-UHFFFAOYSA-N
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Elements H C Cl O N