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Home > Boronic Acids > 784146-26-5
784146-26-5 | Quinolinium, 1-[(4-boronophenyl)methyl]-6-methoxy-, bromide
CAS No: 784146-26-5 Catalog No: AG005LZ5 MDL No:
Product Description
Catalog Number:
AG005LZ5
Chemical Name:
Quinolinium, 1-[(4-boronophenyl)methyl]-6-methoxy-, bromide
CAS Number:
784146-26-5
Molecular Formula:
C17H17BBrNO3
Molecular Weight:
374.0368
IUPAC Name:
[4-[(6-methoxyquinolin-1-ium-1-yl)methyl]phenyl]boronic acid;bromide
InChI:
InChI=1S/C17H17BNO3.BrH/c1-22-16-8-9-17-14(11-16)3-2-10-19(17)12-13-4-6-15(7-5-13)18(20)21;/h2-11,20-21H,12H2,1H3;1H/q+1;/p-1
InChI Key:
MVPQYCQFEWDCGG-UHFFFAOYSA-M
SMILES:
COc1ccc2c(c1)ccc[n+]2Cc1ccc(cc1)B(O)O.[Br-]
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.048g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.041g/mol
Monoisotopic Mass:
373.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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