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147220-80-2 | Ethanone, 2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)-
CAS No: 147220-80-2 Catalog No: AG001EPB MDL No:
Product Description
Catalog Number:
AG001EPB
Chemical Name:
Ethanone, 2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)-
CAS Number:
147220-80-2
Molecular Formula:
C14H11BrO4
Molecular Weight:
323.1387
IUPAC Name:
2-(4-bromophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
InChI:
InChI=1S/C14H11BrO4/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,16,18-19H,5H2
InChI Key:
ZHFHYNNYPFXGEC-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c(c(c1)O)C(=O)Cc1ccc(cc1)Br
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.984g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.142g/mol
Monoisotopic Mass:
321.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Identification of isoflavone derivatives as effective anticryptosporidial agents in vitro and in vivo. | Journal of medicinal chemistry 20060223 |
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