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Home > Boronic Acids > 856570-41-7
856570-41-7 | 1,3,2-Benzodioxaborole, 2,2'-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis-
CAS No: 856570-41-7 Catalog No: AG004TH4 MDL No:
Product Description
Catalog Number:
AG004TH4
Chemical Name:
1,3,2-Benzodioxaborole, 2,2'-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis-
CAS Number:
856570-41-7
Molecular Formula:
C37H40B2O4
Molecular Weight:
570.3331
IUPAC Name:
2-[7-(1,3,2-benzodioxaborol-2-yl)-9,9-dihexylfluoren-2-yl]-1,3,2-benzodioxaborole
InChI:
InChI=1S/C37H40B2O4/c1-3-5-7-13-23-37(24-14-8-6-4-2)31-25-27(38-40-33-15-9-10-16-34(33)41-38)19-21-29(31)30-22-20-28(26-32(30)37)39-42-35-17-11-12-18-36(35)43-39/h9-12,15-22,25-26H,3-8,13-14,23-24H2,1-2H3
InChI Key:
VGHDCYXNEIAYAT-UHFFFAOYSA-N
SMILES:
CCCCCCC1(CCCCCC)c2cc(ccc2c2c1cc(cc2)B1Oc2c(O1)cccc2)B1Oc2c(O1)cccc2
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
570.311g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.343g/mol
Monoisotopic Mass:
570.311g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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