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(Q82826502)
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English
1-(2-Bromophenyl)-4-nitrobutan-1-one
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
270.98440528
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₀BrNO₃
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canonical SMILES
C1=CC=C(C(=C1)C(=O)CCC[N+](=O)[O-])Br
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Identifiers
InChI
InChI=1S/C10H10BrNO3/c11-9-5-2-1-4-8(9)10(13)6-3-7-12(14)15/h1-2,4-5H,3,6-7H2
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InChIKey
ZSQNXRZVAKGPGX-UHFFFAOYSA-N
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CAS Registry Number
823809-84-3
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PubChem CID
71418833
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UniChem compound ID
46813966
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60838124
1 reference
matched by identifier from
InChIKey
InChIKey
ZSQNXRZVAKGPGX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50788866
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