Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, 2-[4,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl]-2-oxoethyl ester (9CI)
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Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, 2-[4,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl]-2-oxoethyl ester (9CI)
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CAS No:
587835-11-8
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Formula:
C27H20ClFN2O4S
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Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, 2-[4,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl]-2-oxoethyl ester (9CI)
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Synonyms:
2-[5-(4-Methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl 3-chloro-6-fluoro-1-benzo[b]thiophene-2-carboxylate
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CAS No:
Benzo[b]thiophene-2-carboxylic acid, 3-chloro-6-fluoro-, 2-[4,5-dihydro-5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-1-yl]-2-oxoethyl ester (9CI) Basic Attributes
522.9751032
522.082
Computed Properties
Molecular Weight:523.0
XLogP3:6.3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:522.0816342
Monoisotopic Mass:522.0816342
Topological Polar Surface Area:96.4
Heavy Atom Count:36
Complexity:833
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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