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(Q82801336)
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English
1-Nitro-2-{[4-(trifluoromethyl)phenyl]sulfanyl}benzene
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
299.02278415599994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₈F₃NO₂S
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canonical SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)C(F)(F)F
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Identifiers
InChI
InChI=1S/C13H8F3NO2S/c14-13(15,16)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)17(18)19/h1-8H
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InChIKey
XUNSVQVBCWCYMO-UHFFFAOYSA-N
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CAS Registry Number
61174-10-5
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PubChem CID
71398636
1 reference
matched by identifier from
InChIKey
InChIKey
XUNSVQVBCWCYMO-UHFFFAOYSA-N
UniChem compound ID
57525267
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30820051
1 reference
matched by identifier from
InChIKey
InChIKey
XUNSVQVBCWCYMO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20770793
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