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Home > Nitro Compounds > 87723-36-2
87723-36-2 | Ethanone, 1-(4-ethoxyphenyl)-2-[(2-nitrophenyl)imino]-
CAS No: 87723-36-2 Catalog No: AG004N0N MDL No:
Product Description
Catalog Number:
AG004N0N
Chemical Name:
Ethanone, 1-(4-ethoxyphenyl)-2-[(2-nitrophenyl)imino]-
CAS Number:
87723-36-2
Molecular Formula:
C16H14N2O4
Molecular Weight:
298.2934
IUPAC Name:
1-(4-ethoxyphenyl)-2-(2-nitrophenyl)iminoethanone
InChI:
InChI=1S/C16H14N2O4/c1-2-22-13-9-7-12(8-10-13)16(19)11-17-14-5-3-4-6-15(14)18(20)21/h3-11H,2H2,1H3
InChI Key:
PTXKZJMSLRLRKX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(=O)C=Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.298g/mol
Monoisotopic Mass:
298.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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