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Home > Fluorides > 889938-97-0
889938-97-0 | Ethanone,1-[3-(4-fluorophenyl)-5-isoxazolyl]-
CAS No: 889938-97-0 Catalog No: AG00451L MDL No:MFCD08443688
Product Description
Catalog Number:
AG00451L
Chemical Name:
Ethanone,1-[3-(4-fluorophenyl)-5-isoxazolyl]-
CAS Number:
889938-97-0
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
MDL Number:
MFCD08443688
IUPAC Name:
1-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]ethanone
InChI:
InChI=1S/C11H8FNO2/c1-7(14)11-6-10(13-15-11)8-2-4-9(12)5-3-8/h2-6H,1H3
InChI Key:
FYOVARWWAUYDFV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1noc(c1)C(=O)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.188g/mol
Monoisotopic Mass:
205.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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