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1565-90-8 | 2-Propen-1-one, 1-(4-fluorophenyl)-3-(2-furanyl)-
CAS No: 1565-90-8 Catalog No: AG001ORV MDL No:
Product Description
Catalog Number:
AG001ORV
Chemical Name:
2-Propen-1-one, 1-(4-fluorophenyl)-3-(2-furanyl)-
CAS Number:
1565-90-8
Molecular Formula:
C13H9FO2
Molecular Weight:
216.2078
IUPAC Name:
1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C13H9FO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H
InChI Key:
BGWADTFLQQUACM-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)C=Cc1ccco1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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