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1000342-94-8 | Ethanone, 1-(6-amino-2,3-dihydro-5-nitro-1H-indol-1-yl)-
CAS No: 1000342-94-8 Catalog No: AG0000JW MDL No:
Product Description
Catalog Number:
AG0000JW
Chemical Name:
Ethanone, 1-(6-amino-2,3-dihydro-5-nitro-1H-indol-1-yl)-
CAS Number:
1000342-94-8
Molecular Formula:
C10H11N3O3
Molecular Weight:
221.2126
IUPAC Name:
1-(6-amino-5-nitro-2,3-dihydroindol-1-yl)ethanone
InChI:
InChI=1S/C10H11N3O3/c1-6(14)12-3-2-7-4-10(13(15)16)8(11)5-9(7)12/h4-5H,2-3,11H2,1H3
InChI Key:
LKKQICUKSUULEO-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c1cc(N)c(c2)[N+](=O)[O-]
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.216g/mol
Monoisotopic Mass:
221.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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