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Home > Boronic Acids > 648904-89-6
648904-89-6 | 2-(4-TRIFLUOROMETHANESULFONYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2] DIOXABOROLANE
CAS No: 648904-89-6 Catalog No: AG01DWKN MDL No:MFCD28969495
Product Description
Catalog Number:
AG01DWKN
Chemical Name:
2-(4-TRIFLUOROMETHANESULFONYL-PHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2] DIOXABOROLANE
CAS Number:
648904-89-6
Molecular Formula:
C13H16BF3O4S
Molecular Weight:
336.1349
MDL Number:
MFCD28969495
IUPAC Name:
4,4,5,5-tetramethyl-2-[4-(trifluoromethylsulfonyl)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H16BF3O4S/c1-11(2)12(3,4)21-14(20-11)9-5-7-10(8-6-9)22(18,19)13(15,16)17/h5-8H,1-4H3
InChI Key:
SGJLAYCQVDMZOM-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(F)F
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.132g/mol
Monoisotopic Mass:
336.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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