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Home > Nitro Compounds > 89813-93-4
89813-93-4 | 1,3,4-Oxadiazole, 3-acetyl-2,3-dihydro-2-(3-nitrophenyl)-5-(3-pyridinyl)-
CAS No: 89813-93-4 Catalog No: AG003ZA5 MDL No:
Product Description
Catalog Number:
AG003ZA5
Chemical Name:
1,3,4-Oxadiazole, 3-acetyl-2,3-dihydro-2-(3-nitrophenyl)-5-(3-pyridinyl)-
CAS Number:
89813-93-4
Molecular Formula:
C15H12N4O4
Molecular Weight:
312.2802
IUPAC Name:
1-[2-(3-nitrophenyl)-5-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
InChI:
InChI=1S/C15H12N4O4/c1-10(20)18-15(11-4-2-6-13(8-11)19(21)22)23-14(17-18)12-5-3-7-16-9-12/h2-9,15H,1H3
InChI Key:
MNCXMPBVDZNRGL-UHFFFAOYSA-N
SMILES:
CC(=O)N1N=C(OC1c1cccc(c1)[N+](=O)[O-])c1cccnc1
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.086g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.285g/mol
Monoisotopic Mass:
312.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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