1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-sulfonic acid
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![1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-sulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cef524972d464cb1a4c380c01b6f37a0.png "1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-sulfonic acid")
1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-sulfonic acid
structure -
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CAS No:
16479-21-3
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Formula:
C20H7Cl12NO5S
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Chemical Name:
1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-sulfonic acid
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Synonyms:
NSC270723;16479-21-3;DTXSID00330536;NSC-270723
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CAS No:
1,4,5,6,7,16,17,18,19,19,20,20-dodecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene-11-sulfonic acid Basic Attributes
798.8 g/mol
798.621875 g/mol
270723
DTXSID00330536
Computed Properties
Molecular Weight:798.8
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:798.621875
Monoisotopic Mass:792.630726
Topological Polar Surface Area:109
Heavy Atom Count:39
Complexity:1410
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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