Formula |
C13H6F2N2S |
IUPAC Name |
3-fluoro-5-[2-[2-(fluoromethyl)thiazol-4-yl]ethynyl]benzonitrile |
Molecular Mass |
260.262 g·mol−1 |
Heat of Formation |
255.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.49 ± 1.08 D |
Volume |
284.52 Å 3 |
Surface Area |
281.68 Å 2 |
HOMO Energy |
-9.49 ± 0.55 eV |
LUMO Energy |
-1.58 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-fluoro-5-[2-[2-(fluoromethyl)-1,3-thiazol-4-yl]ethynyl]benzonitrile
- 3-fluoro-5-[2-[2-(fluoromethyl)-4-thiazolyl]ethynyl]benzonitrile
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InChIKey |
WTLBLIGPXACYET-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
N
C
F
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