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Home > Indoles and Oxindole > 151390-86-2
151390-86-2 | 2-Propen-1-one, 3-(1H-indol-3-yl)-1-(3-nitrophenyl)-, (E)-
CAS No: 151390-86-2 Catalog No: AG007EDJ MDL No:
Product Description
Catalog Number:
AG007EDJ
Chemical Name:
2-Propen-1-one, 3-(1H-indol-3-yl)-1-(3-nitrophenyl)-, (E)-
CAS Number:
151390-86-2
Molecular Formula:
C17H12N2O3
Molecular Weight:
292.2888
IUPAC Name:
3-(1H-indol-3-yl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H12N2O3/c20-17(12-4-3-5-14(10-12)19(21)22)9-8-13-11-18-16-7-2-1-6-15(13)16/h1-11,18H
InChI Key:
XCHYJMLZAJKYMN-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1c[nH]c2c1cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.294g/mol
Monoisotopic Mass:
292.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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