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(Q83021353)
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English
Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester
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
308.3296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₃FN₂O₃S
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canonical SMILES
CCOC(=O)CSC1=NC=NC(=C1)OC2=CC=C(C=C2)F
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Identifiers
InChI
InChI=1S/C14H13FN2O3S/c1-2-19-14(18)8-21-13-7-12(16-9-17-13)20-11-5-3-10(15)4-6-11/h3-7,9H,2,8H2,1H3
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InChIKey
DMTPBKUSYJWDLM-UHFFFAOYSA-N
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CAS Registry Number
124041-07-2
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PubChem CID
3079028
1 reference
matched by identifier from
InChIKey
InChIKey
DMTPBKUSYJWDLM-UHFFFAOYSA-N
UniChem compound ID
63826765
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70154201
1 reference
matched by identifier from
InChIKey
InChIKey
DMTPBKUSYJWDLM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3076692
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