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Home > Boronic Acids > 883741-17-1
883741-17-1 | 2,5-Dihexyl-1,4-benzenediboronic acid ethylene glycol ester
CAS No: 883741-17-1 Catalog No: AG008DDI MDL No:
Product Description
Catalog Number:
AG008DDI
Chemical Name:
2,5-Dihexyl-1,4-benzenediboronic acid ethylene glycol ester
CAS Number:
883741-17-1
Molecular Formula:
C22H36B2O4
Molecular Weight:
386.1408
IUPAC Name:
2-[4-(1,3,2-dioxaborolan-2-yl)-2,5-dihexylphenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C22H36B2O4/c1-3-5-7-9-11-19-17-22(24-27-15-16-28-24)20(12-10-8-6-4-2)18-21(19)23-25-13-14-26-23/h17-18H,3-16H2,1-2H3
InChI Key:
ITOITFXJYMWNKM-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(B2OCCO2)c(cc1B1OCCO1)CCCCCC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.28g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.146g/mol
Monoisotopic Mass:
386.28g/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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