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(Q82539771)
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Q82858464
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English
3-butyl-6-chloro-3H-2-benzofuran-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
224.060407336
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₃ClO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCC1OC(=O)c2cc(Cl)ccc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H13ClO2/c1-2-3-4-11-9-6-5-8(13)7-10(9)12(14)15-11/h5-7,11H,2-4H2,1H3
0 references
InChIKey
RJBJRRBLGZJSGP-UHFFFAOYSA-N
0 references
CAS Registry Number
185696-02-0
0 references
PubChem CID
23274110
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
33015077
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30632257
0 references
DTXSID60876783
0 references
DSSTOX compound identifier
DTXCID40583009
0 references
DTXCID50871944
0 references
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