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Home > Nitro Compounds > 88185-06-2
88185-06-2 | 1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-nitrophenyl)-
CAS No: 88185-06-2 Catalog No: AG004CDT MDL No:
Product Description
Catalog Number:
AG004CDT
Chemical Name:
1,3,4-Oxadiazole, 2-(4-methylphenyl)-5-(2-nitrophenyl)-
CAS Number:
88185-06-2
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
2-(4-methylphenyl)-5-(2-nitrophenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C15H11N3O3/c1-10-6-8-11(9-7-10)14-16-17-15(21-14)12-4-2-3-5-13(12)18(19)20/h2-9H,1H3
InChI Key:
HVIDHJZOKAMEAB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nnc(o1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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