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Home > Nitro Compounds > 89541-65-1
89541-65-1 | 2(1H)-Pyrazinone, 5-(4-nitrophenyl)-
CAS No: 89541-65-1 Catalog No: AG003YP0 MDL No:
Product Description
Catalog Number:
AG003YP0
Chemical Name:
2(1H)-Pyrazinone, 5-(4-nitrophenyl)-
CAS Number:
89541-65-1
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
IUPAC Name:
5-(4-nitrophenyl)-1H-pyrazin-2-one
InChI:
InChI=1S/C10H7N3O3/c14-10-6-11-9(5-12-10)7-1-3-8(4-2-7)13(15)16/h1-6H,(H,12,14)
InChI Key:
KZJUKOSIQRRAMX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1c[nH]c(=O)cn1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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