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Home > Fluorides > 122948-59-8
122948-59-8 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-dibenzofuranyl ester
CAS No: 122948-59-8 Catalog No: AG000JT3 MDL No:
Product Description
Catalog Number:
AG000JT3
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-dibenzofuranyl ester
CAS Number:
122948-59-8
Molecular Formula:
C13H7F3O4S
Molecular Weight:
316.2525
IUPAC Name:
dibenzofuran-2-yl trifluoromethanesulfonate
InChI:
InChI=1S/C13H7F3O4S/c14-13(15,16)21(17,18)20-8-5-6-12-10(7-8)9-3-1-2-4-11(9)19-12/h1-7H
InChI Key:
MOESETYVVCFGDQ-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(F)(F)F)Oc1ccc2c(c1)c1ccccc1o2
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.002g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.25g/mol
Monoisotopic Mass:
316.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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