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Home > Boronic Acids > 958457-42-6
958457-42-6 | {4-[3-(trifluoromethyl)phenoxy]phenyl}boronic acid
CAS No: 958457-42-6 Catalog No: AG01C5OR MDL No:MFCD14581941
Product Description
Catalog Number:
AG01C5OR
Chemical Name:
{4-[3-(trifluoromethyl)phenoxy]phenyl}boronic acid
CAS Number:
958457-42-6
Molecular Formula:
C13H10BF3O3
Molecular Weight:
282.0229
MDL Number:
MFCD14581941
IUPAC Name:
[4-[3-(trifluoromethyl)phenoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H10BF3O3/c15-13(16,17)9-2-1-3-12(8-9)20-11-6-4-10(5-7-11)14(18)19/h1-8,18-19H
InChI Key:
CPGMKXOOKRKAFT-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)Oc1cccc(c1)C(F)(F)F)O
Properties
Complexity:
304
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
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