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Home > Indoles and Oxindole > 915302-54-4
915302-54-4 | 1H-Indole, 1-(2-ethylhexyl)-2-methyl-3-[2-(4-nitrophenyl)ethenyl]-
CAS No: 915302-54-4 Catalog No: AG0069MC MDL No:
Product Description
Catalog Number:
AG0069MC
Chemical Name:
1H-Indole, 1-(2-ethylhexyl)-2-methyl-3-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
915302-54-4
Molecular Formula:
C25H30N2O2
Molecular Weight:
390.5179
IUPAC Name:
1-(2-ethylhexyl)-2-methyl-3-[2-(4-nitrophenyl)ethenyl]indole
InChI:
InChI=1S/C25H30N2O2/c1-4-6-9-20(5-2)18-26-19(3)23(24-10-7-8-11-25(24)26)17-14-21-12-15-22(16-13-21)27(28)29/h7-8,10-17,20H,4-6,9,18H2,1-3H3
InChI Key:
VPKVQZMJOCTCCE-UHFFFAOYSA-N
SMILES:
CCCCC(Cn1c(C)c(c2c1cccc2)C=Cc1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.231g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.527g/mol
Monoisotopic Mass:
390.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
7.6
Literature
| Title | Journal |
|---|---|
| Unconditionally stable indole-derived glass blends having very high photorefractive gain: the role of intermolecular interactions. | Applied optics 20081220 |
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