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Home > Indoles and Oxindole > 729561-84-6
729561-84-6 | 3-(1-ethyl-2-phenyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS No: 729561-84-6 Catalog No: AG019HY1 MDL No:MFCD03968061
Product Description
Catalog Number:
AG019HY1
Chemical Name:
3-(1-ethyl-2-phenyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS Number:
729561-84-6
Molecular Formula:
C19H16N2O
Molecular Weight:
288.3431
MDL Number:
MFCD03968061
IUPAC Name:
3-(1-ethyl-2-phenylindol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C19H16N2O/c1-2-21-16-11-7-6-10-15(16)18(17(22)12-13-20)19(21)14-8-4-3-5-9-14/h3-11H,2,12H2,1H3
InChI Key:
AHBCWBZOKBZEMN-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1c(c2ccccc2)n(c2c1cccc2)CC
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.35g/mol
Monoisotopic Mass:
288.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
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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