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139015-80-8 | Benzamide, N-phenyl-2-seleno-
CAS No: 139015-80-8 Catalog No: AG001A0K MDL No:
Product Description
Catalog Number:
AG001A0K
Chemical Name:
Benzamide, N-phenyl-2-seleno-
CAS Number:
139015-80-8
Molecular Formula:
C13H11NOSe
Molecular Weight:
276.1925
InChI:
InChI=1S/C13H10NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChI Key:
KWTUCBZCJBVRTM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[SeH])Nc1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.2g/mol
Monoisotopic Mass:
275.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Density functional theory study of the reaction mechanism and energetics of the reduction of hydrogen peroxide by ebselen, ebselen diselenide, and ebselen selenol. | The journal of physical chemistry. A 20070426 |
| Modeling the reduction of hydrogen peroxide by glutathione peroxidase mimics. | The journal of physical chemistry. A 20060720 |
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