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Home > Nitro Compounds > 89546-97-4
89546-97-4 | Pyridazine, 1,6-dihydro-4,5-dimethyl-1-(4-nitrophenyl)-3,6-diphenyl-
CAS No: 89546-97-4 Catalog No: AG003YL0 MDL No:
Product Description
Catalog Number:
AG003YL0
Chemical Name:
Pyridazine, 1,6-dihydro-4,5-dimethyl-1-(4-nitrophenyl)-3,6-diphenyl-
CAS Number:
89546-97-4
Molecular Formula:
C24H21N3O2
Molecular Weight:
383.4424
IUPAC Name:
4,5-dimethyl-2-(4-nitrophenyl)-3,6-diphenyl-3H-pyridazine
InChI:
InChI=1S/C24H21N3O2/c1-17-18(2)24(20-11-7-4-8-12-20)26(21-13-15-22(16-14-21)27(28)29)25-23(17)19-9-5-3-6-10-19/h3-16,24H,1-2H3
InChI Key:
XCOOBMPLMLLCFI-UHFFFAOYSA-N
SMILES:
CC1=C(C)C(N(N=C1c1ccccc1)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.163g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.451g/mol
Monoisotopic Mass:
383.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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