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Home > Nitro Compounds > 1044-49-1
1044-49-1 | 2,5-BIS(4-NITROPHENYL)-1,3,4-OXADIAZOLE
CAS No: 1044-49-1 Catalog No: AG003FW1 MDL No:MFCD00173659
Product Description
Catalog Number:
AG003FW1
Chemical Name:
2,5-BIS(4-NITROPHENYL)-1,3,4-OXADIAZOLE
CAS Number:
1044-49-1
Molecular Formula:
C14H8N4O5
Molecular Weight:
312.2371
MDL Number:
MFCD00173659
IUPAC Name:
2,5-bis(4-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C14H8N4O5/c19-17(20)11-5-1-9(2-6-11)13-15-16-14(23-13)10-3-7-12(8-4-10)18(21)22/h1-8H
InChI Key:
NXVIYWNQRSLRGX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.049g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.241g/mol
Monoisotopic Mass:
312.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of substituted diphenyl-1,3,4-oxadiazole derivatives for central nervous system depressant activity. | Organic and medicinal chemistry letters 20120101 |
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