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Home > Nitro Compounds > 16619-38-8
16619-38-8 | 2-Propen-1-one, 1-(2-nitrophenyl)-3-phenyl-
CAS No: 16619-38-8 Catalog No: AG001WKB MDL No:
Product Description
Catalog Number:
AG001WKB
Chemical Name:
2-Propen-1-one, 1-(2-nitrophenyl)-3-phenyl-
CAS Number:
16619-38-8
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
1-(2-nitrophenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C15H11NO3/c17-15(11-10-12-6-2-1-3-7-12)13-8-4-5-9-14(13)16(18)19/h1-11H
InChI Key:
YYIXJQNHAYVYFI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(=O)C=Cc1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 1-[3-(2-Nitro-phen-yl)-5-phenyl-2-pyrazolin-1-yl]ethanone. | Acta crystallographica. Section E, Structure reports online 20100701 |
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