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Home > Fluorides > 145645-18-7
145645-18-7 | Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS No: 145645-18-7 Catalog No: AG001D8R MDL No:
Product Description
Catalog Number:
AG001D8R
Chemical Name:
Benzoic acid, 2-methoxy-6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS Number:
145645-18-7
Molecular Formula:
C10H9F3O6S
Molecular Weight:
314.2351
IUPAC Name:
methyl 2-methoxy-6-(trifluoromethylsulfonyloxy)benzoate
InChI:
InChI=1S/C10H9F3O6S/c1-17-6-4-3-5-7(8(6)9(14)18-2)19-20(15,16)10(11,12)13/h3-5H,1-2H3
InChI Key:
ZVJPMHSTMCREFK-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(OC)cccc1OS(=O)(=O)C(F)(F)F
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.231g/mol
Monoisotopic Mass:
314.007g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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