Home Boronic acids 1,2-Benzenediboronic acid bis(pinacol) ester

1,2-Benzenediboronic acid bis(pinacol) ester

CAS No.:
269410-07-3
Catalog Number:
AG003A10
Molecular Formula:
C18H28B2O4
Molecular Weight:
330.0345
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Product Description
Catalog Number:
AG003A10
Chemical Name:
1,2-Benzenediboronic acid bis(pinacol) ester
CAS Number:
269410-07-3
Molecular Formula:
C18H28B2O4
Molecular Weight:
330.0345
MDL Number:
MFCD28969469
IUPAC Name:
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C18H28B2O4/c1-15(2)16(3,4)22-19(21-15)13-11-9-10-12-14(13)20-23-17(5,6)18(7,8)24-20/h9-12H,1-8H3
InChI Key:
VCTMQXIOUDZIGS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccccc1B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.217g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.038g/mol
Monoisotopic Mass:
330.217g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties