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Home > Indoles and Oxindole > 109811-96-3
109811-96-3 | 1-methyl-3-(2-nitro-1-phenylethyl)-1H-indole
CAS No: 109811-96-3 Catalog No: AG00J59Z MDL No:MFCD14281886
Product Description
Catalog Number:
AG00J59Z
Chemical Name:
1-methyl-3-(2-nitro-1-phenylethyl)-1H-indole
CAS Number:
109811-96-3
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
MDL Number:
MFCD14281886
IUPAC Name:
1-methyl-3-(2-nitro-1-phenylethyl)indole
InChI:
InChI=1S/C17H16N2O2/c1-18-11-16(14-9-5-6-10-17(14)18)15(12-19(20)21)13-7-3-2-4-8-13/h2-11,15H,12H2,1H3
InChI Key:
RZQOLNRNTNCIGV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1cn(c2c1cccc2)C)c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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