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Home > Fluorides > 817160-39-7
817160-39-7 | Methanesulfonic acid, trifluoro-, 2-oxo-2-(9H-xanthen-9-yl)ethyl ester
CAS No: 817160-39-7 Catalog No: AG005193 MDL No:
Product Description
Catalog Number:
AG005193
Chemical Name:
Methanesulfonic acid, trifluoro-, 2-oxo-2-(9H-xanthen-9-yl)ethyl ester
CAS Number:
817160-39-7
Molecular Formula:
C16H11F3O5S
Molecular Weight:
372.3157
IUPAC Name:
[2-oxo-2-(9H-xanthen-9-yl)ethyl] trifluoromethanesulfonate
InChI:
InChI=1S/C16H11F3O5S/c17-16(18,19)25(21,22)23-9-12(20)15-10-5-1-3-7-13(10)24-14-8-4-2-6-11(14)15/h1-8,15H,9H2
InChI Key:
XUVKCEXWRHXDOQ-UHFFFAOYSA-N
SMILES:
O=C(C1c2ccccc2Oc2c1cccc2)COS(=O)(=O)C(F)(F)F
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.028g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.314g/mol
Monoisotopic Mass:
372.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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