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105401-03-4 | Borolane, 2,5-dimethyl-1-[[(trifluoromethyl)sulfonyl]oxy]-, (2S,5S)-
CAS No: 105401-03-4 Catalog No: AG007WM0 MDL No:
Product Description
Catalog Number:
AG007WM0
Chemical Name:
Borolane, 2,5-dimethyl-1-[[(trifluoromethyl)sulfonyl]oxy]-, (2S,5S)-
CAS Number:
105401-03-4
Molecular Formula:
C7H12BF3O3S
Molecular Weight:
244.0396
IUPAC Name:
(2,5-dimethylborolan-1-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C7H12BF3O3S/c1-5-3-4-6(2)8(5)14-15(12,13)7(9,10)11/h5-6H,3-4H2,1-2H3
InChI Key:
NVABJSMCYANUSG-UHFFFAOYSA-N
SMILES:
C[C@H]1CC[C@@H](B1OS(=O)(=O)C(F)(F)F)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.035g/mol
Monoisotopic Mass:
244.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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