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Home > Nitro Compounds > 74229-71-3
74229-71-3 | 3,5-Bis(3-nitrophenyl);-1,2,4-oxadiazole
CAS No: 74229-71-3 Catalog No: AG003IJQ MDL No:MFCD01624374
Product Description
Catalog Number:
AG003IJQ
Chemical Name:
3,5-Bis(3-nitrophenyl);-1,2,4-oxadiazole
CAS Number:
74229-71-3
Molecular Formula:
C14H8N4O5
Molecular Weight:
312.2371
MDL Number:
MFCD01624374
IUPAC Name:
3,5-bis(3-nitrophenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C14H8N4O5/c19-17(20)11-5-1-3-9(7-11)13-15-14(23-16-13)10-4-2-6-12(8-10)18(21)22/h1-8H
InChI Key:
DLOMOIFOKNNPRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1onc(n1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
451
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:
3.1
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