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Home > Fluorides > 127041-02-5
127041-02-5 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-penten-1-yl ester
CAS No: 127041-02-5 Catalog No: AG000WM7 MDL No:
Product Description
Catalog Number:
AG000WM7
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-penten-1-yl ester
CAS Number:
127041-02-5
Molecular Formula:
C6H9F3O3S
Molecular Weight:
218.1941
IUPAC Name:
pent-4-enyl trifluoromethanesulfonate
InChI:
InChI=1S/C6H9F3O3S/c1-2-3-4-5-12-13(10,11)6(7,8)9/h2H,1,3-5H2
InChI Key:
GWJMWRQAYBNUEU-UHFFFAOYSA-N
SMILES:
C=CCCCOS(=O)(=O)C(F)(F)F
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.19g/mol
Monoisotopic Mass:
218.022g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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