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Home > Indoles and Oxindole > 84744-90-1
84744-90-1 | Ethanone, 1-(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)-
CAS No: 84744-90-1 Catalog No: AG004OYM MDL No:
Product Description
Catalog Number:
AG004OYM
Chemical Name:
Ethanone, 1-(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)-
CAS Number:
84744-90-1
Molecular Formula:
C17H14N2O3
Molecular Weight:
294.3047
IUPAC Name:
1-(1-methyl-5-nitro-3-phenylindol-2-yl)ethanone
InChI:
InChI=1S/C17H14N2O3/c1-11(20)17-16(12-6-4-3-5-7-12)14-10-13(19(21)22)8-9-15(14)18(17)2/h3-10H,1-2H3
InChI Key:
UFCZHNQWWRBLTH-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(c2ccccc2)c2c(n1C)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.31g/mol
Monoisotopic Mass:
294.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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