Formula |
C12H7ClF3NO2S |
IUPAC Name |
benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate |
Molecular Mass |
321.703 g·mol−1 |
Heat of Formation |
-722.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.09 ± 1.08 D |
Volume |
318.12 Å 3 |
Surface Area |
293.65 Å 2 |
HOMO Energy |
-10.10 ± 0.55 eV |
LUMO Energy |
-2.39 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylic acid phenylmethyl ester
- 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylic acid benzyl ester
- 5-thiazolecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, phenylmethyl ester
- benzyl 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylate
- phenylmethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
- phenylmethyl 2-chloro-4-(trifluoromethyl)-5-thiazolecarboxylate
- phenylmethyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate
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CAS Number(s) |
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InChIKey |
MKQSWTQPLLCSOB-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
F
H
Cl
O
N
S
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