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(Q82955151)
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Q82006822
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English
1-Chloro-3-cyanopropan-2-yl undecanoate
chemical compound
Undecanoic acid, 2-chloro-1-(cyanomethyl)ethyl ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
287.165206752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₆ClNO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCC(=O)OC(CCl)CC#N
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H26ClNO2/c1-2-3-4-5-6-7-8-9-10-15(18)19-14(13-16)11-12-17/h14H,2-11,13H2,1H3
0 references
InChIKey
PPDBEBYYDNLWKK-UHFFFAOYSA-N
0 references
CAS Registry Number
56208-06-1
reason for deprecated rank
cannot be confirmed by other sources
0 references
5775-37-1
reason for deprecated rank
cannot be confirmed by other sources
0 references
DSSTox substance ID
DTXSID80971603
0 references
DTXSID20276346
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DSSTOX compound identifier
DTXCID40876524
0 references
DTXCID40227658
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NSC number
61687
0 references
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