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Home > Boronic Acids > 870822-77-8
870822-77-8 | Boronic acid,B-(2,2,4,4-tetrafluoro-4H-1,3-benzodioxin-6-yl)-
CAS No: 870822-77-8 Catalog No: AG004LL3 MDL No:
Product Description
Catalog Number:
AG004LL3
Chemical Name:
Boronic acid,B-(2,2,4,4-tetrafluoro-4H-1,3-benzodioxin-6-yl)-
CAS Number:
870822-77-8
Molecular Formula:
C8H5BF4O4
Molecular Weight:
251.9275
IUPAC Name:
(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)boronic acid
InChI:
InChI=1S/C8H5BF4O4/c10-7(11)5-3-4(9(14)15)1-2-6(5)16-8(12,13)17-7/h1-3,14-15H
InChI Key:
HLUVHDQKBZFLJY-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)C(F)(F)OC(O2)(F)F)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.928g/mol
Monoisotopic Mass:
252.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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