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(Q82807302)
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English
1-[(3-Boronophenyl)methyl]-6-methylquinolin-1-ium bromide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
357.05357128400004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₇BBrNO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ccc2c(ccc[n+]2Cc2cccc(B(O)O)c2)c1.[Br-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H17BNO2.BrH/c1-13-7-8-17-15(10-13)5-3-9-19(17)12-14-4-2-6-16(11-14)18(20)21;/h2-11,20-21H,12H2,1H3;1H/q+1;/p-1
0 references
InChIKey
HSTWSMOAEBFMSF-UHFFFAOYSA-M
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CAS Registry Number
784146-23-2
0 references
PubChem CID
71403080
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HSTWSMOAEBFMSF-UHFFFAOYSA-M
UniChem compound ID
42860423
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20824008
1 reference
matched by identifier from
InChIKey
InChIKey
HSTWSMOAEBFMSF-UHFFFAOYSA-M
DSSTOX compound identifier
DTXCID60774750
0 references
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