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(Q82346658)
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English
4-Acetyl-5-benzamido-2-chlorophenyl thiocyanate
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
330.7904
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₁ClN₂O₂S
0 references
canonical SMILES
CC(=O)C1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)SC#N)Cl
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Identifiers
InChI
InChI=1S/C16H11ClN2O2S/c1-10(20)12-7-13(17)15(22-9-18)8-14(12)19-16(21)11-5-3-2-4-6-11/h2-8H,1H3,(H,19,21)
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InChIKey
FJZFDVJMVVBTHC-UHFFFAOYSA-N
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CAS Registry Number
67335-18-6
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PubChem CID
12415651
1 reference
matched by identifier from
InChIKey
InChIKey
FJZFDVJMVVBTHC-UHFFFAOYSA-N
UniChem compound ID
47469579
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60497235
1 reference
matched by identifier from
InChIKey
InChIKey
FJZFDVJMVVBTHC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60448045
0 references
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