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Home > Boronic Acids > 203927-98-4

203927-98-4

203927-98-4 | Boronic acid, B,B'-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis-

CAS No: 203927-98-4 Catalog No: AG00297M MDL No:MFCD03427279

Product Description

Catalog Number:
AG00297M
Chemical Name:
Boronic acid, B,B'-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis-
CAS Number:
203927-98-4
Molecular Formula:
C25H36B2O4
Molecular Weight:
422.1729
MDL Number:
MFCD03427279
IUPAC Name:
(7-borono-9,9-dihexylfluoren-2-yl)boronic acid
InChI:
InChI=1S/C25H36B2O4/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26(28)29)11-13-21(23)22-14-12-20(27(30)31)18-24(22)25/h11-14,17-18,28-31H,3-10,15-16H2,1-2H3
InChI Key:
QFWOJNOZWMHNTK-UHFFFAOYSA-N
SMILES:
CCCCCCC1(CCCCCC)c2cc(ccc2c2c1cc(cc2)B(O)O)B(O)O

Properties

Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.28g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
422.179g/mol
Monoisotopic Mass:
422.28g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
New pyrimidine- and fluorene-containing oligo(arylene)s: synthesis, crystal structures, optoelectronic properties and a theoretical study. Organic & biomolecular chemistry 20030907

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