3-BROMO-3-NITRO-2,4-PENTANEDIOL
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3-BROMO-3-NITRO-2,4-PENTANEDIOL
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CAS No:
69094-16-2
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Formula:
C5H10BrNO4
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Chemical Name:
3-BROMO-3-NITRO-2,4-PENTANEDIOL
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Synonyms:
2,4-Pentanediol,3-bromo-3-nitro-;3-bromo-3-nitropentane-2,4-diol;SCHEMBL2728735;CTK5C9057;DTXSID10543195;3-Bromo-1,3,5-trideoxy-3-nitropentitol
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CAS No:
Computed Properties
Molecular Weight:228.04
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:226.97932
Monoisotopic Mass:226.97932
Topological Polar Surface Area:86.3
Heavy Atom Count:11
Complexity:149
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes