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Home > Boronic Acids > 111950-68-6
111950-68-6 | Boronic acid, [3-(2,4,6-triphenyl-1(2H)-pyridinyl)phenyl]-
CAS No: 111950-68-6 Catalog No: AG007V1P MDL No:
Product Description
Catalog Number:
AG007V1P
Chemical Name:
Boronic acid, [3-(2,4,6-triphenyl-1(2H)-pyridinyl)phenyl]-
CAS Number:
111950-68-6
Molecular Formula:
C29H24BNO2
Molecular Weight:
429.3174
IUPAC Name:
[3-(2,4,6-triphenyl-2H-pyridin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C29H24BNO2/c32-30(33)26-17-10-18-27(21-26)31-28(23-13-6-2-7-14-23)19-25(22-11-4-1-5-12-22)20-29(31)24-15-8-3-9-16-24/h1-21,28,32-33H
InChI Key:
MJKPBMXBGWUOPH-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)N1C(C=C(C=C1c1ccccc1)c1ccccc1)c1ccccc1)O
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.19g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
429.326g/mol
Monoisotopic Mass:
429.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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