Formula |
C18H16ClNO4S |
IUPAC Name |
methyl 1-[(4-chlorophenyl)methyl]-5-methylsulfonyl-indol-1-ium-2-carboxylate |
Molecular Mass |
377.842 g·mol−1 |
Heat of Formation |
-455.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.05 ± 1.08 D |
Volume |
412.0 Å 3 |
Surface Area |
358.01 Å 2 |
HOMO Energy |
-9.21 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-(4-chlorobenzyl)-5-mesyl-indole-2-carboxylic acid methyl ester
- 1-[(4-chlorophenyl)methyl]-5-methylsulfonyl-2-indolecarboxylic acid methyl ester
- cox-2 inhibitor i
- curator_000016
- lm-1685
- methyl 1-[(4-chlorophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylate
- methyl 1-[(4-chlorophenyl)methyl]-5-methylsulfonylindole-2-carboxylate
- methyl [5-methylsulfonyl-1-(4-chlorobenzyl)-1h-2-indolyl]carboxylate
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InChIKey |
UBZBOEWMQPWUKB-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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