Home Boronic acids 9,9-Diheptylfluorene-2,7-diboronic acid

9,9-Diheptylfluorene-2,7-diboronic acid

CAS No.:
916336-19-1
Catalog Number:
AG00GUWB
Molecular Formula:
C27H40B2O4
Molecular Weight:
450.2261
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Product Description
Catalog Number:
AG00GUWB
Chemical Name:
9,9-Diheptylfluorene-2,7-diboronic acid
CAS Number:
916336-19-1
Molecular Formula:
C27H40B2O4
Molecular Weight:
450.2261
MDL Number:
MFCD09260449
IUPAC Name:
(7-borono-9,9-diheptylfluoren-2-yl)boronic acid
InChI:
InChI=1S/C27H40B2O4/c1-3-5-7-9-11-17-27(18-12-10-8-6-4-2)25-19-21(28(30)31)13-15-23(25)24-16-14-22(29(32)33)20-26(24)27/h13-16,19-20,30-33H,3-12,17-18H2,1-2H3
InChI Key:
WXRULSQSPSECSD-UHFFFAOYSA-N
SMILES:
CCCCCCCC1(CCCCCCC)c2cc(ccc2c2c1cc(cc2)B(O)O)B(O)O
Properties
Complexity:
510  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.311g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
450.233g/mol
Monoisotopic Mass:
450.311g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties