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129600-92-6 | Acetic acid, 2-fluoro-2-[(4-methoxyphenyl)thio]-, ethyl ester
CAS No: 129600-92-6 Catalog No: AG000Z88 MDL No:
Product Description
Catalog Number:
AG000Z88
Chemical Name:
Acetic acid, 2-fluoro-2-[(4-methoxyphenyl)thio]-, ethyl ester
CAS Number:
129600-92-6
Molecular Formula:
C11H13FO3S
Molecular Weight:
244.2825
IUPAC Name:
ethyl 2-fluoro-2-(4-methoxyphenyl)sulfanylacetate
InChI:
InChI=1S/C11H13FO3S/c1-3-15-11(13)10(12)16-9-6-4-8(14-2)5-7-9/h4-7,10H,3H2,1-2H3
InChI Key:
SOWYPAQZFOPAFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Sc1ccc(cc1)OC)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.28g/mol
Monoisotopic Mass:
244.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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