| Formula |
C13H9F2N3OS |
| IUPAC Name |
2-[difluoro-(4-methylpyrimidin-2-yl)sulfanyl-methyl]-1,3-benzoxazole |
| Molecular Mass |
293.292 g·mol−1 |
| Heat of Formation |
-142.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.32 ± 1.08 D |
| Volume |
305.93 Å 3 |
| Surface Area |
289.47 Å 2 |
| HOMO Energy |
-9.41 ± 0.55 eV |
| LUMO Energy |
-1.01 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[1,1-difluoro-1-(4-methyl-pyrimidin-2-ylsulfanyl)-methyl]-benzoxazole
- 2-[difluoro-(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzoxazole
- 2-[difluoro-[(4-methyl-2-pyrimidinyl)thio]methyl]-1,3-benzoxazole
- 2-[difluoro-[(4-methylpyrimidin-2-yl)thio]methyl]-1,3-benzoxazole
|
| InChIKey |
VJAIXDQDRKEAAZ-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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