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127649-10-9 | Ethanesulfonic acid, 2,2,2-trifluoroethyl ester
CAS No: 127649-10-9 Catalog No: AG000X8Q MDL No:
Product Description
Catalog Number:
AG000X8Q
Chemical Name:
Ethanesulfonic acid, 2,2,2-trifluoroethyl ester
CAS Number:
127649-10-9
Molecular Formula:
C4H7F3O3S
Molecular Weight:
192.1568
IUPAC Name:
2,2,2-trifluoroethyl ethanesulfonate
InChI:
InChI=1S/C4H7F3O3S/c1-2-11(8,9)10-3-4(5,6)7/h2-3H2,1H3
InChI Key:
CZCZRQRPLMGCAE-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)OCC(F)(F)F
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.007g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.152g/mol
Monoisotopic Mass:
192.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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