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Home > Boronic Acids > 1186482-51-8
1186482-51-8 | (4-Propoxy-2-(trifluoromethyl)phenyl)boronic acid
CAS No: 1186482-51-8 Catalog No: AG003BWP MDL No:MFCD15143462
Product Description
Catalog Number:
AG003BWP
Chemical Name:
(4-Propoxy-2-(trifluoromethyl)phenyl)boronic acid
CAS Number:
1186482-51-8
Molecular Formula:
C10H12BF3O3
Molecular Weight:
248.0067
MDL Number:
MFCD15143462
IUPAC Name:
[4-propoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BF3O3/c1-2-5-17-7-3-4-9(11(15)16)8(6-7)10(12,13)14/h3-4,6,15-16H,2,5H2,1H3
InChI Key:
VLCNWPKMMHEGHU-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(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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