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Home > Boronic Acids > 958457-41-5
958457-41-5 | (4-(4-(Trifluoromethoxy);phenoxy);phenyl);boronic acid
CAS No: 958457-41-5 Catalog No: AG00H7B0 MDL No:MFCD20491424
Product Description
Catalog Number:
AG00H7B0
Chemical Name:
(4-(4-(Trifluoromethoxy);phenoxy);phenyl);boronic acid
CAS Number:
958457-41-5
Molecular Formula:
C13H10BF3O4
Molecular Weight:
298.0223
MDL Number:
MFCD20491424
IUPAC Name:
[4-[4-(trifluoromethoxy)phenoxy]phenyl]boronic acid
InChI:
InChI=1S/C13H10BF3O4/c15-13(16,17)21-12-7-5-11(6-8-12)20-10-3-1-9(2-4-10)14(18)19/h1-8,18-19H
InChI Key:
SIWUQLYUFGJITE-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F)O
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.024g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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