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129599-92-4 | Acetic acid, 2-fluoro-2-[(4-methoxyphenyl)sulfinyl]-, ethyl ester
CAS No: 129599-92-4 Catalog No: AG000Z89 MDL No:
Product Description
Catalog Number:
AG000Z89
Chemical Name:
Acetic acid, 2-fluoro-2-[(4-methoxyphenyl)sulfinyl]-, ethyl ester
CAS Number:
129599-92-4
Molecular Formula:
C11H13FO4S
Molecular Weight:
260.2819
IUPAC Name:
ethyl 2-fluoro-2-(4-methoxyphenyl)sulfinylacetate
InChI:
InChI=1S/C11H13FO4S/c1-3-16-11(13)10(12)17(14)9-6-4-8(15-2)5-7-9/h4-7,10H,3H2,1-2H3
InChI Key:
PVLZNTGFLZIOLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(S(=O)c1ccc(cc1)OC)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.279g/mol
Monoisotopic Mass:
260.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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