1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine,oxalic acid
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![1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine,oxalic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c4c6ffb9d60a4b2986dff2be7cc74fab.png "1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine,oxalic acid")
1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine,oxalic acid
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CAS No:
82387-27-7
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Formula:
C22H22F3NO5S
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Chemical Name:
1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine,oxalic acid
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Synonyms:
Piperidine,1-methyl-4-(2-(trifluoromethyl)-11H-dibenz(b,f)(1,4)oxathiepin-11-yl)-,ethanedioate,hydrate (1:1:1); 2-Trifluoromethyl-11-(1-methyl-4-piperidyl)-11H-dibenz(b,f)-1,4-oxathiepin oxalate hydrate; 1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine;
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CAS No:
1-methyl-4-[8-(trifluoromethyl)-6H-benzo[b][1,5]benzoxathiepin-6-yl]piperidine,oxalic acid Basic Attributes
469.47400
469.11707846
Computed Properties
Molecular Weight:469.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:2
Exact Mass:469.11707846
Monoisotopic Mass:469.11707846
Topological Polar Surface Area:112
Heavy Atom Count:32
Complexity:552
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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