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(Q114826122)
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English
triflumizole
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Triflumizole
1 reference
based on heuristic
inferred from InChIKey
mass
345.08557443999996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₅ClF₃N₃O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C1(=CC=C(C=C1C(F)(F)F)Cl)/N=C(/N2C=NC=C2)\COCCC
1 reference
based on heuristic
inferred from SMILES
different from
Triflumizole
0 references
Identifiers
InChI
InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+
1 reference
based on heuristic
inferred from SMILES
InChIKey
HSMVPDGQOIQYSR-KGENOOAVSA-N
0 references
ChEBI ID
81784
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+
SureChEMBL ID
SCHEMBL21794
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HSMVPDGQOIQYSR-KGENOOAVSA-N
DSSTox substance ID
DTXSID2032500
1 reference
matched by identifier from
InChIKey
InChIKey
HSMVPDGQOIQYSR-KGENOOAVSA-N
UNII
7J6Y4H9MV5
1 reference
matched by identifier from
InChIKey
InChIKey
HSMVPDGQOIQYSR-KGENOOAVSA-N
Encyclopedia of China (Third Edition) ID
508950
0 references
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