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Home > Fluorides > 113397-57-2
113397-57-2 | Ethanone, 2-(4-fluorophenyl)-2-hydroxy-1-(4-pyridinyl)-
CAS No: 113397-57-2 Catalog No: AG0008F1 MDL No:
Product Description
Catalog Number:
AG0008F1
Chemical Name:
Ethanone, 2-(4-fluorophenyl)-2-hydroxy-1-(4-pyridinyl)-
CAS Number:
113397-57-2
Molecular Formula:
C13H10FNO2
Molecular Weight:
231.2224
IUPAC Name:
2-(4-fluorophenyl)-2-hydroxy-1-pyridin-4-ylethanone
InChI:
InChI=1S/C13H10FNO2/c14-11-3-1-9(2-4-11)12(16)13(17)10-5-7-15-8-6-10/h1-8,12,16H
InChI Key:
SGFLYPTYXNFPEY-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(C(=O)c1ccncc1)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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