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Home > Boronic Acids > 1333084-04-0
1333084-04-0 | Boronic acid, B-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-
CAS No: 1333084-04-0 Catalog No: AG01FFX8 MDL No:
Product Description
Catalog Number:
AG01FFX8
Chemical Name:
Boronic acid, B-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-
CAS Number:
1333084-04-0
Molecular Formula:
C14H12BF3O3
Molecular Weight:
296.0495
IUPAC Name:
[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H12BF3O3/c16-14(17,18)11-6-4-10(5-7-11)9-21-13-3-1-2-12(8-13)15(19)20/h1-8,19-20H,9H2
InChI Key:
GSHNWRXALBFJMI-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCc1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
317
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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