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English
3-Bromo-4-nitrobenzonitrile
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
225.937789436
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₃BrN₂O₂
0 references
canonical SMILES
C1=CC(=C(C=C1C#N)Br)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C7H3BrN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
0 references
InChIKey
RNDBDEZITHKFEU-UHFFFAOYSA-N
0 references
CAS Registry Number
102000-73-7
0 references
PubChem CID
18413216
1 reference
matched by identifier from
InChIKey
InChIKey
RNDBDEZITHKFEU-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1511983
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RNDBDEZITHKFEU-UHFFFAOYSA-N
UniChem compound ID
25853333
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70593535
1 reference
matched by identifier from
InChIKey
InChIKey
RNDBDEZITHKFEU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20544299
0 references
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