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Home > Nitro Compounds > 339015-74-6
339015-74-6 | 5-(2-methanesulfinylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CAS No: 339015-74-6 Catalog No: AG00IRUB MDL No:MFCD00975231
Product Description
Catalog Number:
AG00IRUB
Chemical Name:
5-(2-methanesulfinylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CAS Number:
339015-74-6
Molecular Formula:
C15H11N3O4S
Molecular Weight:
329.3305
MDL Number:
MFCD00975231
IUPAC Name:
5-(2-methylsulfinylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C15H11N3O4S/c1-23(21)13-5-3-2-4-12(13)15-16-14(17-22-15)10-6-8-11(9-7-10)18(19)20/h2-9H,1H3
InChI Key:
AONWFXJQSRTWMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1noc(n1)c1ccccc1S(=O)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.047g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.33g/mol
Monoisotopic Mass:
329.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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