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Home > Indoles and Oxindole > 163313-65-3
163313-65-3 | Methanone, 1H-indol-3-yl[2-(3-nitrophenyl)diazenyl]-, 2-phenylhydrazone
CAS No: 163313-65-3 Catalog No: AG001U0O MDL No:
Product Description
Catalog Number:
AG001U0O
Chemical Name:
Methanone, 1H-indol-3-yl[2-(3-nitrophenyl)diazenyl]-, 2-phenylhydrazone
CAS Number:
163313-65-3
Molecular Formula:
C21H16N6O2
Molecular Weight:
384.3907
IUPAC Name:
N'-(3-nitroanilino)-N-phenylimino-1H-indole-3-carboximidamide
InChI:
InChI=1S/C21H16N6O2/c28-27(29)17-10-6-9-16(13-17)24-26-21(25-23-15-7-2-1-3-8-15)19-14-22-20-12-5-4-11-18(19)20/h1-14,22,24H/b25-23?,26-21-
InChI Key:
NOAREGSSLHERCL-ZMFWXMCTSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N=NC(=NNc1ccccc1)c1c[nH]c2c1cccc2
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
384.133g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.399g/mol
Monoisotopic Mass:
384.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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