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Home > Fluorides > 138720-01-1
138720-01-1 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-iodo-3-(methoxymethoxy)phenyl ester
CAS No: 138720-01-1 Catalog No: AG0019FK MDL No:
Product Description
Catalog Number:
AG0019FK
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-iodo-3-(methoxymethoxy)phenyl ester
CAS Number:
138720-01-1
Molecular Formula:
C9H8F3IO5S
Molecular Weight:
412.1215
IUPAC Name:
[2-iodo-3-(methoxymethoxy)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C9H8F3IO5S/c1-16-5-17-6-3-2-4-7(8(6)13)18-19(14,15)9(10,11)12/h2-4H,5H2,1H3
InChI Key:
YMCBMOVTCMAJBJ-UHFFFAOYSA-N
SMILES:
COCOc1cccc(c1I)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.909g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.118g/mol
Monoisotopic Mass:
411.909g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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