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(Q82242033)
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English
Thiocyanic acid, 4-(acetylamino)-3-nitrophenyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
237.020812084
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₇N₃O₃S
0 references
canonical SMILES
CC(=O)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]
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Identifiers
InChI
InChI=1S/C9H7N3O3S/c1-6(13)11-8-3-2-7(16-5-10)4-9(8)12(14)15/h2-4H,1H3,(H,11,13)
0 references
InChIKey
RLPLNYIDEVVEBK-UHFFFAOYSA-N
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CAS Registry Number
54029-46-8
1 reference
InChIKey
RLPLNYIDEVVEBK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=54029-46-8
PubChem CID
8180927
1 reference
matched by identifier from
InChIKey
InChIKey
RLPLNYIDEVVEBK-UHFFFAOYSA-N
UniChem compound ID
8441431
1 reference
stated in
UniChem
NMRShiftDB structure ID
20246880
1 reference
matched by identifier from
InChIKey
InChIKey
RLPLNYIDEVVEBK-UHFFFAOYSA-N
DSSTox substance ID
DTXSID60429117
1 reference
matched by identifier from
InChIKey
InChIKey
RLPLNYIDEVVEBK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10379951
0 references
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