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(Q82678890)
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English
1-[(3-Chloropropyl)sulfanyl]-4-fluoro-2-nitrobenzene
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
249.002655428
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₉ClFNO₂S
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canonical SMILES
C1=CC(=C(C=C1F)[N+](=O)[O-])SCCCCl
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Identifiers
InChI
InChI=1S/C9H9ClFNO2S/c10-4-1-5-15-9-3-2-7(11)6-8(9)12(13)14/h2-3,6H,1,4-5H2
0 references
InChIKey
IQJZITWRQLKORH-UHFFFAOYSA-N
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CAS Registry Number
922511-13-5
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PubChem CID
66128268
1 reference
matched by identifier from
InChIKey
InChIKey
IQJZITWRQLKORH-UHFFFAOYSA-N
UniChem compound ID
45724883
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50734969
1 reference
matched by identifier from
InChIKey
InChIKey
IQJZITWRQLKORH-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80685713
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