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Home > Nitro Compounds > 100989-61-5
100989-61-5 | Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]-
CAS No: 100989-61-5 Catalog No: AG0003DI MDL No:
Product Description
Catalog Number:
AG0003DI
Chemical Name:
Ethanone, 1-[2-methyl-5-(3-nitrophenyl)-1-phenyl-1H-pyrrol-3-yl]-
CAS Number:
100989-61-5
Molecular Formula:
C19H16N2O3
Molecular Weight:
320.3419
IUPAC Name:
1-[2-methyl-5-(3-nitrophenyl)-1-phenylpyrrol-3-yl]ethanone
InChI:
InChI=1S/C19H16N2O3/c1-13-18(14(2)22)12-19(20(13)16-8-4-3-5-9-16)15-7-6-10-17(11-15)21(23)24/h3-12H,1-2H3
InChI Key:
DLBKYGRIVALCRH-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(n(c1C)c1ccccc1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.348g/mol
Monoisotopic Mass:
320.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Pyrrolo[1,2-f]phenanthridines and related non-rigid analogues as antiviral agents. | European journal of medicinal chemistry 20020101 |
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