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Home > Indoles and Oxindole > 4769-98-6
4769-98-6 | 1H-Indole, 1-acetyl-5-nitro-
CAS No: 4769-98-6 Catalog No: AG006ZQQ MDL No:
Product Description
Catalog Number:
AG006ZQQ
Chemical Name:
1H-Indole, 1-acetyl-5-nitro-
CAS Number:
4769-98-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
1-(5-nitroindol-1-yl)ethanone
InChI:
InChI=1S/C10H8N2O3/c1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11/h2-6H,1H3
InChI Key:
OQCZYNYPYKRBSZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccn2C(=O)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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