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Home > Nitro Compounds > 88020-31-9
88020-31-9 | Ethanone, 1-(2-furanyl)-2-(4-nitrophenyl)-
CAS No: 88020-31-9 Catalog No: AG004JMA MDL No:
Product Description
Catalog Number:
AG004JMA
Chemical Name:
Ethanone, 1-(2-furanyl)-2-(4-nitrophenyl)-
CAS Number:
88020-31-9
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
IUPAC Name:
1-(furan-2-yl)-2-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C12H9NO4/c14-11(12-2-1-7-17-12)8-9-3-5-10(6-4-9)13(15)16/h1-7H,8H2
InChI Key:
CNBNFJDDCLBNDH-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
291
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:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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