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Home > Fluorides > 116355-91-0
116355-91-0 | Oxirane, 2-methyl-2-[2,2,2-trifluoro-1-[(phenylsulfonyl)methyl]ethyl]-
CAS No: 116355-91-0 Catalog No: AG000CAA MDL No:
Product Description
Catalog Number:
AG000CAA
Chemical Name:
Oxirane, 2-methyl-2-[2,2,2-trifluoro-1-[(phenylsulfonyl)methyl]ethyl]-
CAS Number:
116355-91-0
Molecular Formula:
C12H13F3O3S
Molecular Weight:
294.2900
IUPAC Name:
2-[3-(benzenesulfonyl)-1,1,1-trifluoropropan-2-yl]-2-methyloxirane
InChI:
InChI=1S/C12H13F3O3S/c1-11(8-18-11)10(12(13,14)15)7-19(16,17)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
ZPBYXKGPRMUDKY-UHFFFAOYSA-N
SMILES:
FC(C(C1(C)OC1)CS(=O)(=O)c1ccccc1)(F)F
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.288g/mol
Monoisotopic Mass:
294.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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