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(Q82727823)
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English
1,3-Dinitro-5-{[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]methyl}benzene
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
444.03677536799995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₉F₉N₂O₅
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canonical SMILES
C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])COCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
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Identifiers
InChI
InChI=1S/C13H9F9N2O5/c14-10(15,11(16,17)12(18,19)13(20,21)22)1-2-29-6-7-3-8(23(25)26)5-9(4-7)24(27)28/h3-5H,1-2,6H2
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InChIKey
LVRIAIQVLBUHAZ-UHFFFAOYSA-N
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CAS Registry Number
138528-18-4
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PubChem CID
71342243
1 reference
matched by identifier from
InChIKey
InChIKey
LVRIAIQVLBUHAZ-UHFFFAOYSA-N
UniChem compound ID
43370534
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70769031
1 reference
matched by identifier from
InChIKey
InChIKey
LVRIAIQVLBUHAZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30719774
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