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Home > Boronic Acids > 871126-23-7
871126-23-7 | (3-Butoxy-2,4,6-trifluorophenyl);boronic acid
CAS No: 871126-23-7 Catalog No: AG003BRM MDL No:MFCD07784387
Product Description
Catalog Number:
AG003BRM
Chemical Name:
(3-Butoxy-2,4,6-trifluorophenyl);boronic acid
CAS Number:
871126-23-7
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD07784387
IUPAC Name:
(3-butoxy-2,4,6-trifluorophenyl)boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-2-3-4-17-10-7(13)5-6(12)8(9(10)14)11(15)16/h5,15-16H,2-4H2,1H3
InChI Key:
ZSXDVYMTOUGRDJ-UHFFFAOYSA-N
SMILES:
CCCCOc1c(F)cc(c(c1F)B(O)O)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.008g/mol
Monoisotopic Mass:
248.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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