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(Q82317080)
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English
1-bromo-3-(4-nitrophenyl)-2-propanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
p-nitrophenyl polyketide
1 reference
based on heuristic
inferred from SMILES
mass
256.96875521600003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₈BrNO₃
0 references
canonical SMILES
C1=CC(=CC=C1CC(=O)CBr)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C9H8BrNO3/c10-6-9(12)5-7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
0 references
InChIKey
NAQLGGFZERMMIJ-UHFFFAOYSA-N
0 references
CAS Registry Number
20772-07-0
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PubChem CID
12232302
1 reference
matched by identifier from
InChIKey
InChIKey
NAQLGGFZERMMIJ-UHFFFAOYSA-N
UniChem compound ID
25969888
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00481592
1 reference
matched by identifier from
InChIKey
InChIKey
NAQLGGFZERMMIJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40432402
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