Home Boronic acids 9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester

9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester

CAS No.:
317802-08-7
Catalog Number:
AG0037E3
Molecular Formula:
C35H52B2O4
Molecular Weight:
558.4070
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Product Description
Catalog Number:
AG0037E3
Chemical Name:
9,9-Dioctylfluorene-2,7-diboronic acid bis(1,3-propanediol) ester
CAS Number:
317802-08-7
Molecular Formula:
C35H52B2O4
Molecular Weight:
558.4070
MDL Number:
MFCD03701607
IUPAC Name:
2-[7-(1,3,2-dioxaborinan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborinane
InChI:
InChI=1S/C35H52B2O4/c1-3-5-7-9-11-13-21-35(22-14-12-10-8-6-4-2)33-27-29(36-38-23-15-24-39-36)17-19-31(33)32-20-18-30(28-34(32)35)37-40-25-16-26-41-37/h17-20,27-28H,3-16,21-26H2,1-2H3
InChI Key:
KAYXDWIILRESPY-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1(CCCCCCCC)c2cc(ccc2c2c1cc(cc2)B1OCCCO1)B1OCCCO1
Properties
Complexity:
665  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.405g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.417g/mol
Monoisotopic Mass:
558.405g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties