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Home > Fluorides > 817160-35-3
817160-35-3 | Methanesulfonic acid, trifluoro-, 2-(2-naphthalenyl)-2-oxoethyl ester
CAS No: 817160-35-3 Catalog No: AG005194 MDL No:
Product Description
Catalog Number:
AG005194
Chemical Name:
Methanesulfonic acid, trifluoro-, 2-(2-naphthalenyl)-2-oxoethyl ester
CAS Number:
817160-35-3
Molecular Formula:
C13H9F3O4S
Molecular Weight:
318.2684
IUPAC Name:
(2-naphthalen-2-yl-2-oxoethyl) trifluoromethanesulfonate
InChI:
InChI=1S/C13H9F3O4S/c14-13(15,16)21(18,19)20-8-12(17)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChI Key:
LHDMVKWHNDYHTH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)cccc2)COS(=O)(=O)C(F)(F)F
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.017g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.266g/mol
Monoisotopic Mass:
318.017g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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