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Home > Boronic Acids > 480424-86-0
480424-86-0 | 9,9-Didodecylfluorene-2,7-diboronic acid
CAS No: 480424-86-0 Catalog No: AG003NJR MDL No:MFCD03701624
Product Description
Catalog Number:
AG003NJR
Chemical Name:
9,9-Didodecylfluorene-2,7-diboronic acid
CAS Number:
480424-86-0
Molecular Formula:
C37H60B2O4
Molecular Weight:
590.4919
MDL Number:
MFCD03701624
IUPAC Name:
(7-borono-9,9-didodecylfluoren-2-yl)boronic acid
InChI:
InChI=1S/C37H60B2O4/c1-3-5-7-9-11-13-15-17-19-21-27-37(28-22-20-18-16-14-12-10-8-6-4-2)35-29-31(38(40)41)23-25-33(35)34-26-24-32(39(42)43)30-36(34)37/h23-26,29-30,40-43H,3-22,27-28H2,1-2H3
InChI Key:
MLGWUNIPUPZNEE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(ccc2c2c1cc(cc2)B(O)O)B(O)O
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
590.468g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
590.503g/mol
Monoisotopic Mass:
590.468g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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