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Home > Boronic Acids > 784146-25-4
784146-25-4 | Quinolinium, 1-[(4-boronophenyl)methyl]-6-methyl-, bromide
CAS No: 784146-25-4 Catalog No: AG005B5Q MDL No:
Product Description
Catalog Number:
AG005B5Q
Chemical Name:
Quinolinium, 1-[(4-boronophenyl)methyl]-6-methyl-, bromide
CAS Number:
784146-25-4
Molecular Formula:
C17H17BBrNO2
Molecular Weight:
358.0374
IUPAC Name:
[4-[(6-methylquinolin-1-ium-1-yl)methyl]phenyl]boronic acid;bromide
InChI:
InChI=1S/C17H17BNO2.BrH/c1-13-4-9-17-15(11-13)3-2-10-19(17)12-14-5-7-16(8-6-14)18(20)21;/h2-11,20-21H,12H2,1H3;1H/q+1;/p-1
InChI Key:
WIKHUCFVJXODRP-UHFFFAOYSA-M
SMILES:
Cc1ccc2c(c1)ccc[n+]2Cc1ccc(cc1)B(O)O.[Br-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.054g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.042g/mol
Monoisotopic Mass:
357.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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