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Home Boronic acids 9,9-Di-n-octylfluorene-2,7-diboronic acid bis(pinacol) ester

9,9-Di-n-octylfluorene-2,7-diboronic acid bis(pinacol) ester

CAS No.:
196207-58-6
Catalog Number:
AG0034EZ
Molecular Formula:
C41H64B2O4
Molecular Weight:
642.5665
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$25
- +
5g
96%
In Stock USA
United States
$82
- +
10g
96%
In Stock USA
United States
$150
- +
25g
96%
In Stock USA
United States
$300
- +
100g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0034EZ
Chemical Name:
9,9-Di-n-octylfluorene-2,7-diboronic acid bis(pinacol) ester
CAS Number:
196207-58-6
Molecular Formula:
C41H64B2O4
Molecular Weight:
642.5665
MDL Number:
MFCD16294554
IUPAC Name:
2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C41H64B2O4/c1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43/h23-26,29-30H,11-22,27-28H2,1-10H3
InChI Key:
FAHIZHKRQQNPLC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1(CCCCCCCC)c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
884  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.499g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
642.579g/mol
Monoisotopic Mass:
642.499g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
2,2'-(9,9-Dioctyl-9H-fluorene-2,7-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane). Acta crystallographica. Section E, Structure reports online 20111201
9,9-Dioctyl-2,7-bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene. Acta crystallographica. Section E, Structure reports online 20080801
Properties