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Home > Boronic Acids > 264615-47-6

264615-47-6

264615-47-6 | Boronic acid, B,B'-[9,9-bis(2-ethylhexyl)-9H-fluorene-2,7-diyl]bis-

CAS No: 264615-47-6 Catalog No: AG002TBE MDL No:

Product Description

Catalog Number:
AG002TBE
Chemical Name:
Boronic acid, B,B'-[9,9-bis(2-ethylhexyl)-9H-fluorene-2,7-diyl]bis-
CAS Number:
264615-47-6
Molecular Formula:
C29H44B2O4
Molecular Weight:
478.2793
IUPAC Name:
[7-borono-9,9-bis(2-ethylhexyl)fluoren-2-yl]boronic acid
InChI:
InChI=1S/C29H44B2O4/c1-5-9-11-21(7-3)19-29(20-22(8-4)12-10-6-2)27-17-23(30(32)33)13-15-25(27)26-16-14-24(31(34)35)18-28(26)29/h13-18,21-22,32-35H,5-12,19-20H2,1-4H3
InChI Key:
RBFWXVHGJQDSGG-UHFFFAOYSA-N
SMILES:
CCCCC(CC1(CC(CCCC)CC)c2cc(ccc2c2c1cc(cc2)B(O)O)B(O)O)CC

Properties

Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.343g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
478.287g/mol
Monoisotopic Mass:
478.343g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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