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89141-67-3 | Ethanone, 1-(5-nitro-3-phenyl-1H-indol-2-yl)-
CAS No: 89141-67-3 Catalog No: AG003WX5 MDL No:
Product Description
Catalog Number:
AG003WX5
Chemical Name:
Ethanone, 1-(5-nitro-3-phenyl-1H-indol-2-yl)-
CAS Number:
89141-67-3
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
IUPAC Name:
1-(5-nitro-3-phenyl-1H-indol-2-yl)ethanone
InChI:
InChI=1S/C16H12N2O3/c1-10(19)16-15(11-5-3-2-4-6-11)13-9-12(18(20)21)7-8-14(13)17-16/h2-9,17H,1H3
InChI Key:
HIXFCWOOHXSJDE-UHFFFAOYSA-N
SMILES:
CC(=O)c1[nH]c2c(c1c1ccccc1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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