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Home > Boronic Acids > 871125-69-8
871125-69-8 | (3-Ethoxy-2,4,6-trifluorophenyl);boronic acid
CAS No: 871125-69-8 Catalog No: AG003BS8 MDL No:MFCD07784381
Product Description
Catalog Number:
AG003BS8
Chemical Name:
(3-Ethoxy-2,4,6-trifluorophenyl);boronic acid
CAS Number:
871125-69-8
Molecular Formula:
C8H8BF3O3
Molecular Weight:
219.9535
MDL Number:
MFCD07784381
IUPAC Name:
(3-ethoxy-2,4,6-trifluorophenyl)boronic acid
InChI:
InChI=1S/C8H8BF3O3/c1-2-15-8-5(11)3-4(10)6(7(8)12)9(13)14/h3,13-14H,2H2,1H3
InChI Key:
SGJHUHAGELVQDV-UHFFFAOYSA-N
SMILES:
CCOc1c(F)cc(c(c1F)B(O)O)F
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.954g/mol
Monoisotopic Mass:
220.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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