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(Q82402686)
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English
4-(Iodomethyl)-3-nitrobenzonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
287.93957539999997
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₅IN₂O₂
0 references
canonical SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])CI
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Identifiers
InChI
InChI=1S/C8H5IN2O2/c9-4-7-2-1-6(5-10)3-8(7)11(12)13/h1-3H,4H2
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InChIKey
CBOHDANLUOKOSV-UHFFFAOYSA-N
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CAS Registry Number
90178-76-0
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PubChem CID
13238545
1 reference
matched by identifier from
InChIKey
InChIKey
CBOHDANLUOKOSV-UHFFFAOYSA-N
UniChem compound ID
48004944
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90531095
1 reference
matched by identifier from
InChIKey
InChIKey
CBOHDANLUOKOSV-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90481884
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