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Home > Indoles and Oxindole > 89423-89-2
89423-89-2 | Acetamide, N-[2-(6-methoxy-2,7-dinitro-1H-indol-3-yl)ethyl]-
CAS No: 89423-89-2 Catalog No: AG0043OR MDL No:
Product Description
Catalog Number:
AG0043OR
Chemical Name:
Acetamide, N-[2-(6-methoxy-2,7-dinitro-1H-indol-3-yl)ethyl]-
CAS Number:
89423-89-2
Molecular Formula:
C13H14N4O6
Molecular Weight:
322.2735
IUPAC Name:
N-[2-(6-methoxy-2,7-dinitro-1H-indol-3-yl)ethyl]acetamide
InChI:
InChI=1S/C13H14N4O6/c1-7(18)14-6-5-9-8-3-4-10(23-2)12(16(19)20)11(8)15-13(9)17(21)22/h3-4,15H,5-6H2,1-2H3,(H,14,18)
InChI Key:
KXWJITGQNLROEW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])[nH]c(c2CCNC(=O)C)[N+](=O)[O-]
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.277g/mol
Monoisotopic Mass:
322.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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