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Home > Nitro Compounds > 77604-94-5
77604-94-5 | 2-Propen-1-one, 1-(5-nitro-2-furanyl)-3-(2-nitrophenyl)-
CAS No: 77604-94-5 Catalog No: AG005SMF MDL No:
Product Description
Catalog Number:
AG005SMF
Chemical Name:
2-Propen-1-one, 1-(5-nitro-2-furanyl)-3-(2-nitrophenyl)-
CAS Number:
77604-94-5
Molecular Formula:
C13H8N2O6
Molecular Weight:
288.2124
IUPAC Name:
1-(5-nitrofuran-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C13H8N2O6/c16-11(12-7-8-13(21-12)15(19)20)6-5-9-3-1-2-4-10(9)14(17)18/h1-8H
InChI Key:
ATKJPGLDZNENQI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(o1)[N+](=O)[O-])C=Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.215g/mol
Monoisotopic Mass:
288.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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