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Home > Boronic Acids > 1256345-96-6
1256345-96-6 | Boronic acid, B-[3-butoxy-5-(trifluoromethoxy)phenyl]-
CAS No: 1256345-96-6 Catalog No: AG000O0J MDL No:MFCD16036112
Product Description
Catalog Number:
AG000O0J
Chemical Name:
Boronic acid, B-[3-butoxy-5-(trifluoromethoxy)phenyl]-
CAS Number:
1256345-96-6
Molecular Formula:
C11H14BF3O4
Molecular Weight:
278.0327
MDL Number:
MFCD16036112
IUPAC Name:
[3-butoxy-5-(trifluoromethoxy)phenyl]boronic acid
InChI:
InChI=1S/C11H14BF3O4/c1-2-3-4-18-9-5-8(12(16)17)6-10(7-9)19-11(13,14)15/h5-7,16-17H,2-4H2,1H3
InChI Key:
LJAITWONDCKJGB-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(cc(c1)B(O)O)OC(F)(F)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.034g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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