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Home > Fluorides > 137898-13-6
137898-13-6 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-formyl-6-methoxyphenyl ester
CAS No: 137898-13-6 Catalog No: AG001426 MDL No:
Product Description
Catalog Number:
AG001426
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-formyl-6-methoxyphenyl ester
CAS Number:
137898-13-6
Molecular Formula:
C9H7F3O5S
Molecular Weight:
284.2091
IUPAC Name:
(2-formyl-6-methoxyphenyl) trifluoromethanesulfonate
InChI:
InChI=1S/C9H7F3O5S/c1-16-7-4-2-3-6(5-13)8(7)17-18(14,15)9(10,11)12/h2-5H,1H3
InChI Key:
VYFPCFITTXMPKA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OS(=O)(=O)C(F)(F)F)C=O
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.997g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.205g/mol
Monoisotopic Mass:
283.997g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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