Home Boronic acids {4-[4-(trifluoromethyl)phenoxy]phenyl}boronic acid

{4-[4-(trifluoromethyl)phenoxy]phenyl}boronic acid

CAS No.:
1415824-94-0
Catalog Number:
AG01C5BX
Molecular Formula:
C13H10BF3O3
Molecular Weight:
282.0229
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Product Description
Catalog Number:
AG01C5BX
Chemical Name:
{4-[4-(trifluoromethyl)phenoxy]phenyl}boronic acid
CAS Number:
1415824-94-0
Molecular Formula:
C13H10BF3O3
Molecular Weight:
282.0229
MDL Number:
MFCD14581943
IUPAC Name:
[4-[4-(trifluoromethyl)phenoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H10BF3O3/c15-13(16,17)9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)14(18)19/h1-8,18-19H
InChI Key:
KZXCMVJHGMMESW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)Oc1ccc(cc1)C(F)(F)F)O
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.068g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.025g/mol
Monoisotopic Mass:
282.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties