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Home > Fluorides > 191211-62-8
191211-62-8 | Methanesulfonic acid, 1,1,1-trifluoro-, 1-ethylpropyl ester
CAS No: 191211-62-8 Catalog No: AG002F3W MDL No:
Product Description
Catalog Number:
AG002F3W
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 1-ethylpropyl ester
CAS Number:
191211-62-8
Molecular Formula:
C6H11F3O3S
Molecular Weight:
220.2099
IUPAC Name:
pentan-3-yl trifluoromethanesulfonate
InChI:
InChI=1S/C6H11F3O3S/c1-3-5(4-2)12-13(10,11)6(7,8)9/h5H,3-4H2,1-2H3
InChI Key:
DOHFYHRENNMQST-UHFFFAOYSA-N
SMILES:
CCC(OS(=O)(=O)C(F)(F)F)CC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.206g/mol
Monoisotopic Mass:
220.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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