Formula |
C12H7ClN2O2S |
IUPAC Name |
8-(4-chlorophenyl)-7-oxo-thiazolo[3,2-a]pyrimidin-4-ium-5-olate |
Molecular Mass |
278.714 g·mol−1 |
Heat of Formation |
-53.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.48 ± 1.08 D |
Volume |
287.77 Å 3 |
Surface Area |
259.5 Å 2 |
HOMO Energy |
-9.34 ± 0.55 eV |
LUMO Energy |
1.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 8-(4-chlorophenyl)-7-keto-thiazolo[2,3-b]pyrimidin-4-ium-5-olate
- 8-(4-chlorophenyl)-7-oxo-5-thiazolo[2,3-b]pyrimidin-4-iumolate
- 8-(4-chlorophenyl)-7-oxo-thiazolo[2,3-b]pyrimidin-4-ium-5-olate
|
InChIKey |
YNZNMLWJILWREM-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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