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Home > Fluorides > 181180-42-7
181180-42-7 | Methanesulfonic acid, 1,1,1-trifluoro-, 3,6-dihydro-2H-thiopyran-4-yl ester
CAS No: 181180-42-7 Catalog No: AG0022QJ MDL No:
Product Description
Catalog Number:
AG0022QJ
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 3,6-dihydro-2H-thiopyran-4-yl ester
CAS Number:
181180-42-7
Molecular Formula:
C6H7F3O3S2
Molecular Weight:
248.2432
IUPAC Name:
3,6-dihydro-2H-thiopyran-4-yl trifluoromethanesulfonate
InChI:
InChI=1S/C6H7F3O3S2/c7-6(8,9)14(10,11)12-5-1-3-13-4-2-5/h1H,2-4H2
InChI Key:
ZMDCEXLCDOPKGH-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)OC1=CCSCC1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.979g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
247.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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