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254755-24-3 | 2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dihexylfluorene
CAS No: 254755-24-3 Catalog No: AG00BDX0 MDL No:MFCD16621093
Product Description
Catalog Number:
AG00BDX0
Chemical Name:
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-dihexylfluorene
CAS Number:
254755-24-3
Molecular Formula:
C37H56B2O4
Molecular Weight:
586.4601
MDL Number:
MFCD16621093
IUPAC Name:
2-[9,9-dihexyl-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/C37H56B2O4/c1-11-13-15-17-23-37(24-18-16-14-12-2)31-25-27(38-40-33(3,4)34(5,6)41-38)19-21-29(31)30-22-20-28(26-32(30)37)39-42-35(7,8)36(9,10)43-39/h19-22,25-26H,11-18,23-24H2,1-10H3
InChI Key:
SYMMYBWUPCWTEI-UHFFFAOYSA-N
SMILES:
CCCCCCC1(CCCCCC)c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
826
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.436g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
586.471g/mol
Monoisotopic Mass:
586.436g/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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