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Home > Boronic Acids > 88375-27-3
88375-27-3 | 4H-1,3,6,2-Dioxazaborocine, 6-dodecyltetrahydro-2-hydroxydiphenyl-
CAS No: 88375-27-3 Catalog No: AG004M9V MDL No:
Product Description
Catalog Number:
AG004M9V
Chemical Name:
4H-1,3,6,2-Dioxazaborocine, 6-dodecyltetrahydro-2-hydroxydiphenyl-
CAS Number:
88375-27-3
Molecular Formula:
C28H42BNO3
Molecular Weight:
451.4490
IUPAC Name:
6-dodecyl-2-hydroxy-4,4-diphenyl-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C28H42BNO3/c1-2-3-4-5-6-7-8-9-10-17-22-30-23-24-32-29(31)33-28(25-30,26-18-13-11-14-19-26)27-20-15-12-16-21-27/h11-16,18-21,31H,2-10,17,22-25H2,1H3
InChI Key:
PTHHOIXFADRWDL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN1CCOB(OC(C1)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.326g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.458g/mol
Monoisotopic Mass:
451.326g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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