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Home > Boronic Acids > 136561-59-6
136561-59-6 | Boronic acid, B-phenyl-, B,B'-anhydride, B,B'-di-1-pyrrolidinyl ester
CAS No: 136561-59-6 Catalog No: AG00122E MDL No:
Product Description
Catalog Number:
AG00122E
Chemical Name:
Boronic acid, B-phenyl-, B,B'-anhydride, B,B'-di-1-pyrrolidinyl ester
CAS Number:
136561-59-6
Molecular Formula:
C20H26B2N2O3
Molecular Weight:
364.0540
IUPAC Name:
phenyl-[phenyl(pyrrolidin-1-yloxy)boranyl]oxy-pyrrolidin-1-yloxyborane
InChI:
InChI=1S/C20H26B2N2O3/c1-3-11-19(12-4-1)21(26-23-15-7-8-16-23)25-22(20-13-5-2-6-14-20)27-24-17-9-10-18-24/h1-6,11-14H,7-10,15-18H2
InChI Key:
ZOQKRUBJFSVQOH-UHFFFAOYSA-N
SMILES:
C1CCN(C1)OB(c1ccccc1)OB(c1ccccc1)ON1CCCC1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.213g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.059g/mol
Monoisotopic Mass:
364.213g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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