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122364-56-1 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-(4-chlorophenyl)-2-oxoethyl ester
CAS No: 122364-56-1 Catalog No: AG001768 MDL No:
Product Description
Catalog Number:
AG001768
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-(4-chlorophenyl)-2-oxoethyl ester
CAS Number:
122364-56-1
Molecular Formula:
C9H6ClF3O4S
Molecular Weight:
302.6547
IUPAC Name:
[2-(4-chlorophenyl)-2-oxoethyl] trifluoromethanesulfonate
InChI:
InChI=1S/C9H6ClF3O4S/c10-7-3-1-6(2-4-7)8(14)5-17-18(15,16)9(11,12)13/h1-4H,5H2
InChI Key:
MUGWXDRYYXFTKZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)COS(=O)(=O)C(F)(F)F
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.963g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.648g/mol
Monoisotopic Mass:
301.963g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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