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 |
-585.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.14 ± 1.08 D |
Volume |
289.24 Å 3 |
Surface Area |
273.01 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
1.64 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 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
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InChIKey |
OUQVKRKGTAUJQA-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
N
O
Cl
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