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Home > Boronic Acids > 1415824-99-5
1415824-99-5 | (4-phenoxy-2-(trifluoromethyl)phenyl)boronic acid
CAS No: 1415824-99-5 Catalog No: AG01DDI2 MDL No:MFCD28360682
Product Description
Catalog Number:
AG01DDI2
Chemical Name:
(4-phenoxy-2-(trifluoromethyl)phenyl)boronic acid
CAS Number:
1415824-99-5
Molecular Formula:
C13H10BF3O3
Molecular Weight:
282.0229
MDL Number:
MFCD28360682
IUPAC Name:
[4-phenoxy-2-(trifluoromethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H10BF3O3/c15-13(16,17)11-8-10(6-7-12(11)14(18)19)20-9-4-2-1-3-5-9/h1-8,18-19H
InChI Key:
DPZHTCBBYPEVJV-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C(F)(F)F)Oc1ccccc1)O
Properties
Complexity:
306
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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