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141109-90-2 | 4H-1-Benzopyran-4-one, 2-(2,4-dichlorophenyl)-
CAS No: 141109-90-2 Catalog No: AG001FX2 MDL No:
Product Description
Catalog Number:
AG001FX2
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2,4-dichlorophenyl)-
CAS Number:
141109-90-2
Molecular Formula:
C15H8Cl2O2
Molecular Weight:
291.1288
IUPAC Name:
2-(2,4-dichlorophenyl)chromen-4-one
InChI:
InChI=1S/C15H8Cl2O2/c16-9-5-6-10(12(17)7-9)15-8-13(18)11-3-1-2-4-14(11)19-15/h1-8H
InChI Key:
MNTWSJDUOWSFDC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)c1cc(=O)c2c(o1)cccc2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.99g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.127g/mol
Monoisotopic Mass:
289.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological activity of flavonoid derivatives as selective agonists for neuromedin U 2 receptor. | Bioorganic & medicinal chemistry 20141101 |
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