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Home > Indoles and Oxindole > 128965-49-1
128965-49-1 | 1H-Indole, 1-methyl-3-(2-nitroethyl)-
CAS No: 128965-49-1 Catalog No: AG000YQE MDL No:
Product Description
Catalog Number:
AG000YQE
Chemical Name:
1H-Indole, 1-methyl-3-(2-nitroethyl)-
CAS Number:
128965-49-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
1-methyl-3-(2-nitroethyl)indole
InChI:
InChI=1S/C11H12N2O2/c1-12-8-9(6-7-13(14)15)10-4-2-3-5-11(10)12/h2-5,8H,6-7H2,1H3
InChI Key:
GIBIFARYUZDMER-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1cn(c2c1cccc2)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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