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Home > Boronic Acids > 98494-81-6
98494-81-6 | 1,3,2-Benzodioxaborole, 2,2'-(1,4-phenylene)bis-
CAS No: 98494-81-6 Catalog No: AG005UXI MDL No:
Product Description
Catalog Number:
AG005UXI
Chemical Name:
1,3,2-Benzodioxaborole, 2,2'-(1,4-phenylene)bis-
CAS Number:
98494-81-6
Molecular Formula:
C18H12B2O4
Molecular Weight:
313.9075
IUPAC Name:
2-[4-(1,3,2-benzodioxaborol-2-yl)phenyl]-1,3,2-benzodioxaborole
InChI:
InChI=1S/C18H12B2O4/c1-2-6-16-15(5-1)21-19(22-16)13-9-11-14(12-10-13)20-23-17-7-3-4-8-18(17)24-20/h1-12H
InChI Key:
MSKIDHJZWZXQGL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)OB(O2)c1ccc(cc1)B1Oc2c(O1)cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.91g/mol
Monoisotopic Mass:
314.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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