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Home > Boronic Acids > 870778-98-6
870778-98-6 | (3-((3-(Trifluoromethyl)phenoxy)methyl)phenyl)boronic acid
CAS No: 870778-98-6 Catalog No: AG003I1P MDL No:MFCD07784353
Product Description
Catalog Number:
AG003I1P
Chemical Name:
(3-((3-(Trifluoromethyl)phenoxy)methyl)phenyl)boronic acid
CAS Number:
870778-98-6
Molecular Formula:
C14H12BF3O3
Molecular Weight:
296.0495
MDL Number:
MFCD07784353
IUPAC Name:
[3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O3/c16-14(17,18)11-4-2-6-13(8-11)21-9-10-3-1-5-12(7-10)15(19)20/h1-8,19-20H,9H2
InChI Key:
TVFNNGHGIHZSDV-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1cccc(c1)C(F)(F)F)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.052g/mol
Monoisotopic Mass:
296.083g/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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