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1000343-09-8 | Ethanone, 1-(6-amino-5-nitro-1H-indol-1-yl)-
CAS No: 1000343-09-8 Catalog No: AG0000L1 MDL No:
Product Description
Catalog Number:
AG0000L1
Chemical Name:
Ethanone, 1-(6-amino-5-nitro-1H-indol-1-yl)-
CAS Number:
1000343-09-8
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
1-(6-amino-5-nitroindol-1-yl)ethanone
InChI:
InChI=1S/C10H9N3O3/c1-6(14)12-3-2-7-4-10(13(15)16)8(11)5-9(7)12/h2-5H,11H2,1H3
InChI Key:
JJZPXESRQLQVOJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2ccn(c2cc1N)C(=O)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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