200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 436853-29-1
436853-29-1 | 4,4'-Bipyridinium, 1,1'-bis[(3-boronophenyl)methyl]-, dibromide
CAS No: 436853-29-1 Catalog No: AG007392 MDL No:
Product Description
Catalog Number:
AG007392
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis[(3-boronophenyl)methyl]-, dibromide
CAS Number:
436853-29-1
Molecular Formula:
C24H24B2Br2N2O4
Molecular Weight:
585.8884
IUPAC Name:
[3-[[4-[1-[(3-boronophenyl)methyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]phenyl]boronic acid;dibromide
InChI:
InChI=1S/C24H24B2N2O4.2BrH/c29-25(30)23-5-1-3-19(15-23)17-27-11-7-21(8-12-27)22-9-13-28(14-10-22)18-20-4-2-6-24(16-20)26(31)32;;/h1-16,29-32H,17-18H2;2*1H/q+2;;/p-2
InChI Key:
XACDRAIVEBNJBR-UHFFFAOYSA-L
SMILES:
OB(c1cccc(c1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1cccc(c1)B(O)O)O.[Br-].[Br-]
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.027g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
585.894g/mol
Monoisotopic Mass:
584.029g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.