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13179-00-5 | 4H-1-Benzopyran-4-one, 3,6-dichloro-2-phenyl-
CAS No: 13179-00-5 Catalog No: AG000ZR2 MDL No:
Product Description
Catalog Number:
AG000ZR2
Chemical Name:
4H-1-Benzopyran-4-one, 3,6-dichloro-2-phenyl-
CAS Number:
13179-00-5
Molecular Formula:
C15H8Cl2O2
Molecular Weight:
291.1288
IUPAC Name:
3,6-dichloro-2-phenylchromen-4-one
InChI:
InChI=1S/C15H8Cl2O2/c16-10-6-7-12-11(8-10)14(18)13(17)15(19-12)9-4-2-1-3-5-9/h1-8H
InChI Key:
PTNKLWUWHUGKTA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)Cl
NSC Number:
74876
Properties
Complexity:
399
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:
5
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activities of flavonoid derivatives as A3 adenosine receptor antagonists. | Journal of medicinal chemistry 19960607 |
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