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Home > Boronic Acids > 1256345-47-7
1256345-47-7 | Boronic acid, B-[3-propoxy-5-(trifluoromethyl)phenyl]-
CAS No: 1256345-47-7 Catalog No: AG000NZ4 MDL No:MFCD16660267
Product Description
Catalog Number:
AG000NZ4
Chemical Name:
Boronic acid, B-[3-propoxy-5-(trifluoromethyl)phenyl]-
CAS Number:
1256345-47-7
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD16660267
IUPAC Name:
[3-propoxy-5-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-2-3-17-9-5-7(10(12,13)14)4-8(6-9)11(15)16/h4-6,15-16H,2-3H2,1H3
InChI Key:
XEKCUHISBHHNAN-UHFFFAOYSA-N
SMILES:
CCCOc1cc(cc(c1)C(F)(F)F)B(O)O
Properties
Complexity:
235
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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