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1245648-54-7 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-[[dimethyl(1-methylethyl)silyl]oxy]-1-cyclohexen-1-yl ester
CAS No: 1245648-54-7 Catalog No: AG000MCF MDL No:
Product Description
Catalog Number:
AG000MCF
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-[[dimethyl(1-methylethyl)silyl]oxy]-1-cyclohexen-1-yl ester
CAS Number:
1245648-54-7
Molecular Formula:
C12H21F3O4SSi
Molecular Weight:
346.4384
IUPAC Name:
[4-[dimethyl(propan-2-yl)silyl]oxycyclohexen-1-yl] trifluoromethanesulfonate
InChI:
InChI=1S/C12H21F3O4SSi/c1-9(2)21(3,4)19-11-7-5-10(6-8-11)18-20(16,17)12(13,14)15/h5,9,11H,6-8H2,1-4H3
InChI Key:
IVMUDBVSZLWVLH-UHFFFAOYSA-N
SMILES:
CC([Si](OC1CCC(=CC1)OS(=O)(=O)C(F)(F)F)(C)C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.436g/mol
Monoisotopic Mass:
346.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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