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137809-72-4 | 2H-1-Benzopyran-2-one, 3-bromo-7-hydroxy-8-iodo-4-methyl-
CAS No: 137809-72-4 Catalog No: AG0013VG MDL No:
Product Description
Catalog Number:
AG0013VG
Chemical Name:
2H-1-Benzopyran-2-one, 3-bromo-7-hydroxy-8-iodo-4-methyl-
CAS Number:
137809-72-4
Molecular Formula:
C10H6BrIO3
Molecular Weight:
380.9613
IUPAC Name:
3-bromo-7-hydroxy-8-iodo-4-methylchromen-2-one
InChI:
InChI=1S/C10H6BrIO3/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3,13H,1H3
InChI Key:
MCBAQIXQBQAGFI-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1I)oc(=O)c(c2C)Br
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.855g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.963g/mol
Monoisotopic Mass:
379.855g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure-activity relationships. | Journal of medicinal chemistry 20080227 |
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