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Home > Boronic Acids > 1256781-66-4
1256781-66-4 | 1,3,2-Dioxaborolane, 2-[2-bromo-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-
CAS No: 1256781-66-4 Catalog No: AG000OBJ MDL No:MFCD17215823
Product Description
Catalog Number:
AG000OBJ
Chemical Name:
1,3,2-Dioxaborolane, 2-[2-bromo-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-
CAS Number:
1256781-66-4
Molecular Formula:
C13H15BBrF3O3
Molecular Weight:
366.9666
MDL Number:
MFCD17215823
IUPAC Name:
2-[2-bromo-5-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H15BBrF3O3/c1-11(2)12(3,4)21-14(20-11)9-7-8(5-6-10(9)15)19-13(16,17)18/h5-7H,1-4H3
InChI Key:
MXRGQKOYIDQMFT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.969g/mol
Monoisotopic Mass:
366.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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