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Home > Fluorides > 157671-95-9
157671-95-9 | Ethanone, 1-(4-fluorophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-
CAS No: 157671-95-9 Catalog No: AG001PMN MDL No:
Product Description
Catalog Number:
AG001PMN
Chemical Name:
Ethanone, 1-(4-fluorophenyl)-2-hydroxy-2-[4-(methylthio)phenyl]-
CAS Number:
157671-95-9
Molecular Formula:
C15H13FO2S
Molecular Weight:
276.3259
IUPAC Name:
1-(4-fluorophenyl)-2-hydroxy-2-(4-methylsulfanylphenyl)ethanone
InChI:
InChI=1S/C15H13FO2S/c1-19-13-8-4-11(5-9-13)15(18)14(17)10-2-6-12(16)7-3-10/h2-9,15,18H,1H3
InChI Key:
OJJJUSUXDRNGLF-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(C(=O)c1ccc(cc1)F)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.325g/mol
Monoisotopic Mass:
276.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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