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Home > Indoles and Oxindole > 141046-95-9
141046-95-9 | 1H-Indole-1-carboxamide, 2,3-dihydro-N-methyl-5-nitro-2,3-dioxo-
CAS No: 141046-95-9 Catalog No: AG001FS5 MDL No:
Product Description
Catalog Number:
AG001FS5
Chemical Name:
1H-Indole-1-carboxamide, 2,3-dihydro-N-methyl-5-nitro-2,3-dioxo-
CAS Number:
141046-95-9
Molecular Formula:
C10H7N3O5
Molecular Weight:
249.1797
IUPAC Name:
N-methyl-5-nitro-2,3-dioxoindole-1-carboxamide
InChI:
InChI=1S/C10H7N3O5/c1-11-10(16)12-7-3-2-5(13(17)18)4-6(7)8(14)9(12)15/h2-4H,1H3,(H,11,16)
InChI Key:
IMLKMCLEESZQCY-UHFFFAOYSA-N
SMILES:
CNC(=O)N1c2ccc(cc2C(=O)C1=O)[N+](=O)[O-]
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.182g/mol
Monoisotopic Mass:
249.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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