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Home > Boronic Acids > 849681-64-7
849681-64-7 | Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester, 95%
CAS No: 849681-64-7 Catalog No: AG00G7IE MDL No:MFCD16294524
Product Description
Catalog Number:
AG00G7IE
Chemical Name:
Diphenylacetylene-4,4'-diboronic acid bis(pinacol) ester, 95%
CAS Number:
849681-64-7
Molecular Formula:
C26H32B2O4
Molecular Weight:
430.1519
MDL Number:
MFCD16294524
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C26H32B2O4/c1-23(2)24(3,4)30-27(29-23)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-31-25(5,6)26(7,8)32-28/h11-18H,1-8H3
InChI Key:
QJTLCFKOLMALPJ-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)C#Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.249g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.158g/mol
Monoisotopic Mass:
430.249g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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