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Home > Boronic Acids > 1864801-79-5
1864801-79-5 | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CAS No: 1864801-79-5 Catalog No: AG01DZ61 MDL No:MFCD16996390
Product Description
Catalog Number:
AG01DZ61
Chemical Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CAS Number:
1864801-79-5
Molecular Formula:
C13H17BF3NO4S
Molecular Weight:
351.1496
MDL Number:
MFCD16996390
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C13H17BF3NO4S/c1-11(2)12(3,4)22-14(21-11)8-5-6-10(23(18,19)20)9(7-8)13(15,16)17/h5-7H,1-4H3,(H2,18,19,20)
InChI Key:
ASVCPGASCQEZNP-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)N
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.147g/mol
Monoisotopic Mass:
351.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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