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Home > Boronic Acids > 917814-64-3
917814-64-3 | Boronic acid, B-(3-methylphenyl)-, compd. with 4,4'-bipyridine (2:3)
CAS No: 917814-64-3 Catalog No: AG006O86 MDL No:
Product Description
Catalog Number:
AG006O86
Chemical Name:
Boronic acid, B-(3-methylphenyl)-, compd. with 4,4'-bipyridine (2:3)
CAS Number:
917814-64-3
Molecular Formula:
C44H42B2N6O4
Molecular Weight:
740.4641
IUPAC Name:
(3-methylphenyl)boronic acid;4-pyridin-4-ylpyridine
InChI:
InChI=1S/3C10H8N2.2C7H9BO2/c3*1-5-11-6-2-9(1)10-3-7-12-8-4-10;2*1-6-3-2-4-7(5-6)8(9)10/h3*1-8H;2*2-5,9-10H,1H3
InChI Key:
SWNNACMPIVSNOI-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.Cc1cccc(c1)B(O)O.Cc1cccc(c1)B(O)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
740.345g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
740.478g/mol
Monoisotopic Mass:
740.345g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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