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(Q82560000)
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English
5-Bromo-4-chloro-1H-indol-3-yl tetradecanoate
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
455.122669012
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₁BrClNO₂
0 references
canonical SMILES
CCCCCCCCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
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Identifiers
InChI
InChI=1S/C22H31BrClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(26)27-19-16-25-18-15-14-17(23)22(24)21(18)19/h14-16,25H,2-13H2,1H3
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InChIKey
BXGNTAYHIGXODS-UHFFFAOYSA-N
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CAS Registry Number
341972-95-0
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PubChem CID
24801977
1 reference
matched by identifier from
InChIKey
InChIKey
BXGNTAYHIGXODS-UHFFFAOYSA-N
UniChem compound ID
24214480
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80647371
1 reference
matched by identifier from
InChIKey
InChIKey
BXGNTAYHIGXODS-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30598122
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