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Home > Nitro Compounds > 2518-61-8
2518-61-8 | 1,3,4-Oxadiazole, 2-(2-nitrophenyl)-5-phenyl-
CAS No: 2518-61-8 Catalog No: AG002QSP MDL No:
Product Description
Catalog Number:
AG002QSP
Chemical Name:
1,3,4-Oxadiazole, 2-(2-nitrophenyl)-5-phenyl-
CAS Number:
2518-61-8
Molecular Formula:
C14H9N3O3
Molecular Weight:
267.2396
IUPAC Name:
2-(2-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C14H9N3O3/c18-17(19)12-9-5-4-8-11(12)14-16-15-13(20-14)10-6-2-1-3-7-10/h1-9H
InChI Key:
LIJMRRGETTVLFW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1nnc(o1)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.244g/mol
Monoisotopic Mass:
267.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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