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Home > Indoles and Oxindole > 89204-77-3
89204-77-3 | 4H-Oxazolo[5,4-b]indole, 4-acetyl-2-(4-nitrophenyl)-
CAS No: 89204-77-3 Catalog No: AG0045NN MDL No:
Product Description
Catalog Number:
AG0045NN
Chemical Name:
4H-Oxazolo[5,4-b]indole, 4-acetyl-2-(4-nitrophenyl)-
CAS Number:
89204-77-3
Molecular Formula:
C17H11N3O4
Molecular Weight:
321.2869
IUPAC Name:
1-[2-(4-nitrophenyl)-[1,3]oxazolo[5,4-b]indol-4-yl]ethanone
InChI:
InChI=1S/C17H11N3O4/c1-10(21)19-14-5-3-2-4-13(14)15-17(19)24-16(18-15)11-6-8-12(9-7-11)20(22)23/h2-9H,1H3
InChI Key:
IRAOFSODYWFCLJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2c(o1)n(c1c2cccc1)C(=O)C
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.075g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.292g/mol
Monoisotopic Mass:
321.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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