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Home > Nitro Compounds > 20844-48-8
20844-48-8 | 1,2,4-Oxadiazole, 3-(3-nitrophenyl)-5-phenyl-
CAS No: 20844-48-8 Catalog No: AG002JO9 MDL No:MFCD00426946
Product Description
Catalog Number:
AG002JO9
Chemical Name:
1,2,4-Oxadiazole, 3-(3-nitrophenyl)-5-phenyl-
CAS Number:
20844-48-8
Molecular Formula:
C14H9N3O3
Molecular Weight:
267.2396
MDL Number:
MFCD00426946
IUPAC Name:
3-(3-nitrophenyl)-5-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C14H9N3O3/c18-17(19)12-8-4-7-11(9-12)13-15-14(20-16-13)10-5-2-1-3-6-10/h1-9H
InChI Key:
MEANKDBJCLROEM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1noc(n1)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:
3.3
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