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Home > Boronic Acids > 680624-95-7
680624-95-7 | Boronic acid, phenyl-, compd. with 4,4'-bipyridine (1:2)
CAS No: 680624-95-7 Catalog No: AG005NJM MDL No:
Product Description
Catalog Number:
AG005NJM
Chemical Name:
Boronic acid, phenyl-, compd. with 4,4'-bipyridine (1:2)
CAS Number:
680624-95-7
Molecular Formula:
C26H23BN4O2
Molecular Weight:
434.2974
IUPAC Name:
phenylboronic acid;4-pyridin-4-ylpyridine
InChI:
InChI=1S/2C10H8N2.C6H7BO2/c2*1-5-11-6-2-9(1)10-3-7-12-8-4-10;8-7(9)6-4-2-1-3-5-6/h2*1-8H;1-5,8-9H
InChI Key:
BVXDUCIKAMOQAI-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.OB(c1ccccc1)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.191g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.306g/mol
Monoisotopic Mass:
434.191g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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