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(Q82242252)
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English
5-tert-butyl-3-(3-nitrophenyl)-1,2,4-oxadiazole
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
247.2504
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₃N₃O₃
0 references
canonical SMILES
CC(C)(C)C1=NC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C12H13N3O3/c1-12(2,3)11-13-10(14-18-11)8-5-4-6-9(7-8)15(16)17/h4-7H,1-3H3
0 references
InChIKey
KYPMVLKLTRSNTQ-UHFFFAOYSA-N
0 references
CAS Registry Number
1004398-30-4
0 references
PubChem CID
8895470
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KYPMVLKLTRSNTQ-UHFFFAOYSA-N
UniChem compound ID
22829076
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50429262
1 reference
matched by identifier from
InChIKey
InChIKey
KYPMVLKLTRSNTQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00380096
0 references
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