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Home > Boronic Acids > 779331-13-4
779331-13-4 | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol
CAS No: 779331-13-4 Catalog No: AG00J2X4 MDL No:MFCD16994239
Product Description
Catalog Number:
AG00J2X4
Chemical Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol
CAS Number:
779331-13-4
Molecular Formula:
C13H16BF3O3
Molecular Weight:
288.0705
MDL Number:
MFCD16994239
IUPAC Name:
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-7-8(13(15,16)17)5-6-10(9)18/h5-7,18H,1-4H3
InChI Key:
BOSFAXKLICWRSZ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)O)(F)F
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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