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129599-90-2 | Acetic acid, 2-fluoro-2-(phenylsulfinyl)-, ethyl ester
CAS No: 129599-90-2 Catalog No: AG000Z8A MDL No:
Product Description
Catalog Number:
AG000Z8A
Chemical Name:
Acetic acid, 2-fluoro-2-(phenylsulfinyl)-, ethyl ester
CAS Number:
129599-90-2
Molecular Formula:
C10H11FO3S
Molecular Weight:
230.2559
IUPAC Name:
ethyl 2-(benzenesulfinyl)-2-fluoroacetate
InChI:
InChI=1S/C10H11FO3S/c1-2-14-10(12)9(11)15(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChI Key:
OUVKMVPNWYLHCV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(S(=O)c1ccccc1)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.253g/mol
Monoisotopic Mass:
230.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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