3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine,oxalic acid
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![3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine,oxalic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/78ac46c521e14dafb46d6bc67d2a6fed.png "3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine,oxalic acid")
3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine,oxalic acid
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CAS No:
69195-57-9
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Formula:
C36H30Cl2N2O4S2
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Chemical Name:
3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine,oxalic acid
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CAS No:
3-chloro-N-prop-2-ynyl-5,6-dihydrobenzo[b][1]benzothiepin-5-amine,oxalic acid Basic Attributes
689.67000
688.1024052
Computed Properties
Molecular Weight:689.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:688.1024052
Monoisotopic Mass:688.1024052
Topological Polar Surface Area:149
Heavy Atom Count:46
Complexity:448
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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