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(Q76755094)
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English
ethyl (E)-3-(2-fluoro-5-nitrophenyl)prop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
239.05938602
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₀FNO₄
0 references
canonical SMILES
CCOC(=O)/C=C/c1cc([N+](=O)[O-])ccc1F
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCOC(=O)/C=C/C1=C(C=CC(=C1)[N+](=O)[O-])F
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Identifiers
InChI
InChI=1S/C11H10FNO4/c1-2-17-11(14)6-3-8-7-9(13(15)16)4-5-10(8)12/h3-7H,2H2,1H3/b6-3+
0 references
InChIKey
MIOPWTLOGXFJHE-ZZXKWVIFSA-N
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CAS Registry Number
91319-50-5
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PubChem CID
66545221
1 reference
matched by identifier from
InChIKey
InChIKey
MIOPWTLOGXFJHE-ZZXKWVIFSA-N
UniChem compound ID
67234852
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50735173
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
MIOPWTLOGXFJHE-ZZXKWVIFSA-N
DSSTOX compound identifier
DTXCID00685917
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