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Home > Boronic Acids > 131117-66-3
131117-66-3 | Boronic acid, B,B'-(2,5-dihexyl-1,4-phenylene)bis-
CAS No: 131117-66-3 Catalog No: AG000VJJ MDL No:
Product Description
Catalog Number:
AG000VJJ
Chemical Name:
Boronic acid, B,B'-(2,5-dihexyl-1,4-phenylene)bis-
CAS Number:
131117-66-3
Molecular Formula:
C18H32B2O4
Molecular Weight:
334.0663
IUPAC Name:
(4-borono-2,5-dihexylphenyl)boronic acid
InChI:
InChI=1S/C18H32B2O4/c1-3-5-7-9-11-15-13-18(20(23)24)16(12-10-8-6-4-2)14-17(15)19(21)22/h13-14,21-24H,3-12H2,1-2H3
InChI Key:
LBOFMYIWYRYZPH-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(B(O)O)c(cc1B(O)O)CCCCCC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.249g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
334.07g/mol
Monoisotopic Mass:
334.249g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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