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Home > Boronic Acids > 1104665-01-1
1104665-01-1 | Benzene-1,4-diboronic acid mono-MIDA ester
CAS No: 1104665-01-1 Catalog No: AG003O0S MDL No:
Product Description
Catalog Number:
AG003O0S
Chemical Name:
Benzene-1,4-diboronic acid mono-MIDA ester
CAS Number:
1104665-01-1
IUPAC Name:
[4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C11H13B2NO6/c1-14-6-10(15)19-13(20-11(16)7-14)9-4-2-8(3-5-9)12(17)18/h2-5,17-18H,6-7H2,1H3
InChI Key:
RXUGTOKUNBZXQV-UHFFFAOYSA-N
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.846g/mol
Monoisotopic Mass:
277.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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