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Home > Boronic Acids > 436853-30-4
436853-30-4 | 4,4'-BipyridiniuM, 1,1'-bis[(4-boronophenyl)Methyl]-, dibroMide
CAS No: 436853-30-4 Catalog No: AG00DL8D MDL No:MFCD24849237
Product Description
Catalog Number:
AG00DL8D
Chemical Name:
4,4'-BipyridiniuM, 1,1'-bis[(4-boronophenyl)Methyl]-, dibroMide
CAS Number:
436853-30-4
Molecular Formula:
C24H24B2Br2N2O4
Molecular Weight:
585.8884
MDL Number:
MFCD24849237
IUPAC Name:
[4-[[4-[1-[(4-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)23-5-1-19(2-6-23)17-27-13-9-21(10-14-27)22-11-15-28(16-12-22)18-20-3-7-24(8-4-20)26(31)32;;/h1-16,29-32H,17-18H2;2*1H/q+2;;/p-2
InChI Key:
DTORDTSFDZJPJM-UHFFFAOYSA-L
SMILES:
OB(c1ccc(cc1)C[n+]1ccc(cc1)c1cc[n+](cc1)Cc1ccc(cc1)B(O)O)O.[Br-].[Br-]
Properties
Complexity:
490
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
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