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Home > Fluorides > 115946-08-2
115946-08-2 | Nonanoic acid, 9-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS No: 115946-08-2 Catalog No: AG000H60 MDL No:
Product Description
Catalog Number:
AG000H60
Chemical Name:
Nonanoic acid, 9-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester
CAS Number:
115946-08-2
Molecular Formula:
C11H19F3O5S
Molecular Weight:
320.3258
IUPAC Name:
methyl 9-(trifluoromethylsulfonyloxy)nonanoate
InChI:
InChI=1S/C11H19F3O5S/c1-18-10(15)8-6-4-2-3-5-7-9-19-20(16,17)11(12,13)14/h2-9H2,1H3
InChI Key:
QOEYUEZPNOVUAJ-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCOS(=O)(=O)C(F)(F)F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.323g/mol
Monoisotopic Mass:
320.091g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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