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Home > Nitro Compounds > 89546-98-5
89546-98-5 | Pyridazine, 1,6-dihydro-6-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-phenyl-
CAS No: 89546-98-5 Catalog No: AG0040GO MDL No:
Product Description
Catalog Number:
AG0040GO
Chemical Name:
Pyridazine, 1,6-dihydro-6-(4-methoxyphenyl)-1-(4-nitrophenyl)-3-phenyl-
CAS Number:
89546-98-5
Molecular Formula:
C23H19N3O3
Molecular Weight:
385.4153
IUPAC Name:
3-(4-methoxyphenyl)-2-(4-nitrophenyl)-6-phenyl-3H-pyridazine
InChI:
InChI=1S/C23H19N3O3/c1-29-21-13-7-18(8-14-21)23-16-15-22(17-5-3-2-4-6-17)24-25(23)19-9-11-20(12-10-19)26(27)28/h2-16,23H,1H3
InChI Key:
HBKRTPSTYFSJFT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1C=CC(=NN1c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.143g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.423g/mol
Monoisotopic Mass:
385.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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