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1195295-51-2 | Ethanone, 2-[(2-acetylphenyl)amino]-1-(3-nitrophenyl)-
CAS No: 1195295-51-2 Catalog No: AG000IXF MDL No:
Product Description
Catalog Number:
AG000IXF
Chemical Name:
Ethanone, 2-[(2-acetylphenyl)amino]-1-(3-nitrophenyl)-
CAS Number:
1195295-51-2
Molecular Formula:
C16H14N2O4
Molecular Weight:
298.2934
IUPAC Name:
2-(2-acetylanilino)-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C16H14N2O4/c1-11(19)14-7-2-3-8-15(14)17-10-16(20)12-5-4-6-13(9-12)18(21)22/h2-9,17H,10H2,1H3
InChI Key:
NWEGTJCFWRQXMG-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])CNc1ccccc1C(=O)C
Properties
Complexity:
432
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:
1
Isotope Atom Count:
0
Molecular Weight:
298.298g/mol
Monoisotopic Mass:
298.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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