3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid
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![3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4da880d9d0af408b88f6cff3ae6e85d1.png "3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid")
3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid
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CAS No:
89825-69-4
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Formula:
C15H9FO3S
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Chemical Name:
3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid
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Synonyms:
8-fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide;L 641953;L 641953, (S)-isomer;L-641953;89825-69-4;L 641953;8-Fluorodibenzo(b,f)thiepin-3-carboxylic acid-5-oxide;L-641953;(R)-8-fluorodibenzo[b,f]thiepine-3-carboxylic acid 5-oxide;8-fluorodibenzo[b,f]thiepin-3-carboxylic acid-5-oxide;ACMC-20lqys;SCHEMBL9682142;SCHEMBL11009017;SCHEMBL11072541;3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid;DTXSID101009014;r-8-fluoro-dibenzo(b,f)thiepin-3-carboxylic acid-5-oxide;Racemic 8-fluorodibenzo[b,f]thiepin-3-carboxylic acid-5-oxide;(11R)-3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid;Dibenzo(b,f)thiepin-3-carboxylic acid, 8-fluoro-, 5-oxide, (R)-;8-Fluoro-5-oxo-5H-5lambda~4~-dibenzo[b,f]thiepine-3-carboxylic acid
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CAS No:
3-fluoro-11-oxobenzo[b][1]benzothiepine-9-carboxylic acid Basic Attributes
288.29 g/mol
288.02564348 g/mol
Computed Properties
Molecular Weight:288.29
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:288.02564348
Monoisotopic Mass:288.02564348
Topological Polar Surface Area:82.6
Heavy Atom Count:20
Complexity:414
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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