[3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate
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[3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate
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CAS No:
24806-97-1
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Formula:
C13H15BrN4O9
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Chemical Name:
[3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate
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Synonyms:
24806-97-1;NSC133123;5-bromo-3-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-1,2,4-triazole;DTXSID50299841;NSC-133123
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CAS No:
[3,4-diacetyloxy-5-(5-bromo-3-nitro-1,2,4-triazol-1-yl)oxolan-2-yl]methyl acetate Basic Attributes
451.18 g/mol
450.00224 g/mol
133123
DTXSID50299841
Computed Properties
Molecular Weight:451.18
XLogP3:0.8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:8
Exact Mass:450.00224
Monoisotopic Mass:450.00224
Topological Polar Surface Area:165
Heavy Atom Count:27
Complexity:615
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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