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Home > Nitro Compounds > 28123-71-9
28123-71-9 | 1-[5-(4-Nitro-phenyl)-furan-2-yl]-ethanone
CAS No: 28123-71-9 Catalog No: AG01EUO7 MDL No:
Product Description
Catalog Number:
AG01EUO7
Chemical Name:
1-[5-(4-Nitro-phenyl)-furan-2-yl]-ethanone
CAS Number:
28123-71-9
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
IUPAC Name:
1-[5-(4-nitrophenyl)furan-2-yl]ethanone
InChI:
InChI=1S/C12H9NO4/c1-8(14)11-6-7-12(17-11)9-2-4-10(5-3-9)13(15)16/h2-7H,1H3
InChI Key:
DEMHINNRZSCFTK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccc(o1)C(=O)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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