200,000+ products from a single source!
sales@angenechem.com
13179-05-0 | 4H-1-Benzopyran-4-one, 3,6-dichloro-2-(2,4,6-trimethylphenyl)-
CAS No: 13179-05-0 Catalog No: AG000ZQZ MDL No:
Product Description
Catalog Number:
AG000ZQZ
Chemical Name:
4H-1-Benzopyran-4-one, 3,6-dichloro-2-(2,4,6-trimethylphenyl)-
CAS Number:
13179-05-0
Molecular Formula:
C18H14Cl2O2
Molecular Weight:
333.2086
IUPAC Name:
3,6-dichloro-2-(2,4,6-trimethylphenyl)chromen-4-one
InChI:
InChI=1S/C18H14Cl2O2/c1-9-6-10(2)15(11(3)7-9)18-16(20)17(21)13-8-12(19)4-5-14(13)22-18/h4-8H,1-3H3
InChI Key:
MFVRBRLUUQLTAK-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1oc2ccc(cc2c(=O)c1Cl)Cl
NSC Number:
74931
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.037g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.208g/mol
Monoisotopic Mass:
332.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Synthesis and biological activities of flavonoid derivatives as A3 adenosine receptor antagonists. | Journal of medicinal chemistry 19960607 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.