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Home > Nitro Compounds > 2491-89-6
2491-89-6 | 1,3,4-Oxadiazole, 2,5-bis(3-nitrophenyl)-
CAS No: 2491-89-6 Catalog No: AG002PU6 MDL No:MFCD00396425
Product Description
Catalog Number:
AG002PU6
Chemical Name:
1,3,4-Oxadiazole, 2,5-bis(3-nitrophenyl)-
CAS Number:
2491-89-6
Molecular Formula:
C14H8N4O5
Molecular Weight:
312.2371
MDL Number:
MFCD00396425
IUPAC Name:
2,5-bis(3-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C14H8N4O5/c19-17(20)11-5-1-3-9(7-11)13-15-16-14(23-13)10-4-2-6-12(8-10)18(21)22/h1-8H
InChI Key:
MBOTVYMOQXKMAR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nnc(o1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
411
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
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