3-(3'-(TRIFLUOROMETHYL)PHENOXYMETHYL)PH&
Product Information
Molecular Formula
C14H12BF3O3
Molecular Weight
296.051
Description
3-(3'-(Trifluoromethyl)phenoxy)methyl)phenol is an indispensable compound for the biomedical sector. It is a bioactive compound that exhibits formidable potential as an active agent in the creation of pharmaceuticals addressing an array of ailments, such as cancer, inflammation, and cardiovascular disorders. Its remarkable affinity towards specific receptors highlights its significance in therapeutic interventions.
Synonyms
3-(3'-(Trifluoromethyl)phenoxymethyl)phenylboronic
IUPAC Name
[3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]boronic acid
SMILES
B(C1=CC(=CC=C1)COC2=CC=CC(=C2)C(F)(F)F)(O)O
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
Boiling Point
428°C at 760 mmHg
Melting Point
90-133°C
Purity
97%
Density
1.33g/cm3
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
296.0831589 g/mol
Monoisotopic Mass
296.0831589 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
325
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
