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Home > Boronic Acids > 1029439-76-6
1029439-76-6 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenol
CAS No: 1029439-76-6 Catalog No: AG007IJA MDL No:MFCD15143616
Product Description
Catalog Number:
AG007IJA
Chemical Name:
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenol
CAS Number:
1029439-76-6
Molecular Formula:
C13H16BF3O3
Molecular Weight:
288.0705
MDL Number:
MFCD15143616
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenol
InChI:
InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)10-6-5-8(18)7-9(10)13(15,16)17/h5-7,18H,1-4H3
InChI Key:
BDBDHVQVHJGEJL-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.073g/mol
Monoisotopic Mass:
288.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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