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847446-33-7 | 4,7-Benzoselenazoledione, 5-methoxy-2-methyl-
CAS No: 847446-33-7 Catalog No: AG004OYP MDL No:
Product Description
Catalog Number:
AG004OYP
Chemical Name:
4,7-Benzoselenazoledione, 5-methoxy-2-methyl-
CAS Number:
847446-33-7
Molecular Formula:
C9H7NO3Se
Molecular Weight:
256.1168
IUPAC Name:
5-methoxy-2-methyl-1,3-benzoselenazole-4,7-dione
InChI:
InChI=1S/C9H7NO3Se/c1-4-10-7-8(12)6(13-2)3-5(11)9(7)14-4/h3H,1-2H3
InChI Key:
DGWYNDYZCKXGCD-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)c2c(C1=O)nc([se]2)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.959g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.13g/mol
Monoisotopic Mass:
256.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and antifungal activity of noble 5-arylamino- and 6-arylthio-4,7-dioxobenzoselenazoles. | Bioorganic & medicinal chemistry letters 20050201 |
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