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Home > Boronic Acids > 85252-27-3
85252-27-3 | 1,3,2-Benzodioxaborole,2-hydroxy-5,6-ditetradecyl-
CAS No: 85252-27-3 Catalog No: AG004PTJ MDL No:
Product Description
Catalog Number:
AG004PTJ
Chemical Name:
1,3,2-Benzodioxaborole,2-hydroxy-5,6-ditetradecyl-
CAS Number:
85252-27-3
Molecular Formula:
C34H61BO3
Molecular Weight:
528.6573
IUPAC Name:
2-hydroxy-5,6-di(tetradecyl)-1,3,2-benzodioxaborole
InChI:
InChI=1S/C34H61BO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33-34(38-35(36)37-33)30-32(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,36H,3-28H2,1-2H3
InChI Key:
GRYZCQIFGJNNOW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCc1cc2OB(Oc2cc1CCCCCCCCCCCCCC)O
EC Number:
286-544-1
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.471g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
528.669g/mol
Monoisotopic Mass:
528.471g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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