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Home > Fluorides > 145624-58-4
145624-58-4 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-(2-methylpropyl)phenyl ester
CAS No: 145624-58-4 Catalog No: AG001D84 MDL No:
Product Description
Catalog Number:
AG001D84
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-(2-methylpropyl)phenyl ester
CAS Number:
145624-58-4
Molecular Formula:
C11H13F3O3S
Molecular Weight:
282.2793
IUPAC Name:
[4-(2-methylpropyl)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C11H13F3O3S/c1-8(2)7-9-3-5-10(6-4-9)17-18(15,16)11(12,13)14/h3-6,8H,7H2,1-2H3
InChI Key:
PKJWTXIXLYRBHS-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.277g/mol
Monoisotopic Mass:
282.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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