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165669-21-6 | Ethanone, 1-(7-nitro-1H-indol-3-yl)-
CAS No: 165669-21-6 Catalog No: AG001WAM MDL No:
Product Description
Catalog Number:
AG001WAM
Chemical Name:
Ethanone, 1-(7-nitro-1H-indol-3-yl)-
CAS Number:
165669-21-6
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
1-(7-nitro-1H-indol-3-yl)ethanone
InChI:
InChI=1S/C10H8N2O3/c1-6(13)8-5-11-10-7(8)3-2-4-9(10)12(14)15/h2-5,11H,1H3
InChI Key:
NDXMZEQFBKFBQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1[nH]cc2C(=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:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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