4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol
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![4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/41c2462065f04f2fb6456047ac81d2d1.png "4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol")
4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol
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CAS No:
313270-18-7
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Formula:
C16H19BrN4O5
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Chemical Name:
4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol
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Synonyms:
ChemDiv1_028668;Oprea1_148784;C16H19BrN4O5;HMS668H02;STL058972;ZINC19320466;AKOS001617486;EU-0039991;UNM000000569201;SR-01000081768;SR-01000081768-1;4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)phenol;313270-18-7
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CAS No:
4-bromo-2-(6,6-dimethyl-5,7-dinitro-1,3-diazatricyclo[3.3.1.13,7]decan-2-yl)phenol Basic Attributes
427.25 g/mol
426.05388 g/mol
Computed Properties
Molecular Weight:427.25
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:426.05388
Monoisotopic Mass:426.05388
Topological Polar Surface Area:118
Heavy Atom Count:26
Complexity:596
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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