| Formula |
C21H19ClFNO4S |
| IUPAC Name |
2-[(3r)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1h-cyclopenta[b]indol-4-ium-3a-ylium-3-yl]acetic acid |
| Molecular Mass |
435.896 g·mol−1 |
| Heat of Formation |
-697.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.59 ± 1.08 D |
| Volume |
474.25 Å 3 |
| Surface Area |
379.53 Å 2 |
| HOMO Energy |
-8.81 ± 0.55 eV |
| LUMO Energy |
-0.98 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[(3r)-4-(4-chlorobenzyl)-7-fluoro-5-mesyl-2,3-dihydro-1h-cyclopenta[b]indol-3-yl]acetic acid
- 2-[(3r)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1h-cyclopenta[b]indol-3-yl]acetic acid
- 2-[(3r)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1h-cyclopenta[b]indol-3-yl]ethanoic acid
|
| InChIKey |
NXFFJDQHYLNEJK-CYBMUJFWSA-N |
| QR Code |
Generate QR Code |
| 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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