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13294-94-5 | 2(3H)-Furanone, 3-[(4-chlorophenyl)methylene]-5-phenyl-
CAS No: 13294-94-5 Catalog No: AG0011FJ MDL No:
Product Description
Catalog Number:
AG0011FJ
Chemical Name:
2(3H)-Furanone, 3-[(4-chlorophenyl)methylene]-5-phenyl-
CAS Number:
13294-94-5
Molecular Formula:
C17H11ClO2
Molecular Weight:
282.7210
IUPAC Name:
3-[(4-chlorophenyl)methylidene]-5-phenylfuran-2-one
InChI:
InChI=1S/C17H11ClO2/c18-15-8-6-12(7-9-15)10-14-11-16(20-17(14)19)13-4-2-1-3-5-13/h1-11H
InChI Key:
OOBPYNGHMHREFX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C=C1C=C(OC1=O)c1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.045g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.723g/mol
Monoisotopic Mass:
282.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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