AC1NR6TL
(Q82219339)
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chemical compound
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English
AC1NR6TL
chemical compound
Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
338.014431456
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₃Cl₃N₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
ClC=C(Cl)N(/C(CCl)=N/c1ccccc1)c1ccccc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
ClC=C(Cl)N(/C(CCl)=N/c1ccccc1)c1ccccc1
0 references
Identifiers
InChI
InChI=1S/C16H13Cl3N2/c17-11-15(19)21(14-9-5-2-6-10-14)16(12-18)20-13-7-3-1-4-8-13/h1-11H,12H2/b15-11?,20-16+
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InChIKey
LMJYIXNTEDLCON-NXSONQBVSA-N
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CAS Registry Number
7226-37-1
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DSSTox substance ID
DTXSID60412125
1 reference
matched by identifier from
InChIKey
InChIKey
LMJYIXNTEDLCON-NXSONQBVSA-N
DSSTOX compound identifier
DTXCID80362976
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