Formula |
C22H21ClF3NO4S |
IUPAC Name |
2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]acetic acid |
Molecular Mass |
487.920 g·mol−1 |
Heat of Formation |
-1077.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.31 ± 1.08 D |
Volume |
545.56 Å 3 |
Surface Area |
435.36 Å 2 |
HOMO Energy |
-8.91 ± 0.55 eV |
LUMO Energy |
-1.22 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[3-chloro-4-[3-[7-propyl-3-(trifluoromethyl)indoxazen-6-yl]oxypropylthio]phenyl]acetic acid
- 2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylsulfanyl]phenyl]ethanoic acid
- 2-[3-chloro-4-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propylthio]phenyl]acetic acid
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InChIKey |
TZBRFAASYWFUGK-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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