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Home > Boronic Acids > 1243143-45-4
1243143-45-4 | Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-
CAS No: 1243143-45-4 Catalog No: AG000LTH MDL No:MFCD16994250
Product Description
Catalog Number:
AG000LTH
Chemical Name:
Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-
CAS Number:
1243143-45-4
Molecular Formula:
C13H16BF3O3
Molecular Weight:
288.0705
MDL Number:
MFCD16994250
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenol
InChI:
InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)8-5-6-10(18)9(7-8)13(15,16)17/h5-7,18H,1-4H3
InChI Key:
WZSVHNDUFOKGNN-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(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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