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Home > Indoles and Oxindole > 478161-92-1
478161-92-1 | 1H-Indole, 3-[1-(3-butynyloxy)-2-nitroethyl]-1-methoxy-
CAS No: 478161-92-1 Catalog No: AG006Z7I MDL No:
Product Description
Catalog Number:
AG006Z7I
Chemical Name:
1H-Indole, 3-[1-(3-butynyloxy)-2-nitroethyl]-1-methoxy-
CAS Number:
478161-92-1
Molecular Formula:
C15H16N2O4
Molecular Weight:
288.2985
IUPAC Name:
3-(1-but-3-ynoxy-2-nitroethyl)-1-methoxyindole
InChI:
InChI=1S/C15H16N2O4/c1-3-4-9-21-15(11-17(18)19)13-10-16(20-2)14-8-6-5-7-12(13)14/h1,5-8,10,15H,4,9,11H2,2H3
InChI Key:
BWBLNWZNSCGSQJ-UHFFFAOYSA-N
SMILES:
C#CCCOC(c1cn(c2c1cccc2)OC)C[N+](=O)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.303g/mol
Monoisotopic Mass:
288.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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