Home Boronic acids 9,9-Di(2,5,8,11-tetraoxatridecan-13-yl)-9H-fluorene-2,7-diyldiboronic acid, pinacol ester

9,9-Di(2,5,8,11-tetraoxatridecan-13-yl)-9H-fluorene-2,7-diyldiboronic acid, pinacol ester

CAS No.:
771563-20-3
Catalog Number:
AG00ICSR
Molecular Formula:
C43H68B2O12
Molecular Weight:
798.6148
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$1250
- +
250mg
96%
In Stock USA
United States
$1875
- +
Product Description
Catalog Number:
AG00ICSR
Chemical Name:
9,9-Di(2,5,8,11-tetraoxatridecan-13-yl)-9H-fluorene-2,7-diyldiboronic acid, pinacol ester
CAS Number:
771563-20-3
Molecular Formula:
C43H68B2O12
Molecular Weight:
798.6148
MDL Number:
MFCD30527636
IUPAC Name:
2-[9,9-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-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/C43H68B2O12/c1-39(2)40(3,4)55-44(54-39)33-11-13-35-36-14-12-34(45-56-41(5,6)42(7,8)57-45)32-38(36)43(37(35)31-33,15-17-48-23-25-52-29-27-50-21-19-46-9)16-18-49-24-26-53-30-28-51-22-20-47-10/h11-14,31-32H,15-30H2,1-10H3
InChI Key:
OBEFIPWLBAKGGY-UHFFFAOYSA-N
SMILES:
COCCOCCOCCOCCC1(CCOCCOCCOCCOC)c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
1050  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
798.49g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
798.625g/mol
Monoisotopic Mass:
798.49g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties