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130612-81-6 | Acetic acid, 2-fluoro-2-[(4-methylphenyl)thio]-, ethyl ester
CAS No: 130612-81-6 Catalog No: AG000UP6 MDL No:
Product Description
Catalog Number:
AG000UP6
Chemical Name:
Acetic acid, 2-fluoro-2-[(4-methylphenyl)thio]-, ethyl ester
CAS Number:
130612-81-6
Molecular Formula:
C11H13FO2S
Molecular Weight:
228.2831
IUPAC Name:
ethyl 2-fluoro-2-(4-methylphenyl)sulfanylacetate
InChI:
InChI=1S/C11H13FO2S/c1-3-14-11(13)10(12)15-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChI Key:
CTZYFXGJDXDDTE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Sc1ccc(cc1)C)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.281g/mol
Monoisotopic Mass:
228.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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