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Home > Nitro Compounds > 89546-99-6
89546-99-6 | Pyridazine, 1,6-dihydro-3-methyl-1-(4-nitrophenyl)-6-phenyl-
CAS No: 89546-99-6 Catalog No: AG003YKZ MDL No:
Product Description
Catalog Number:
AG003YKZ
Chemical Name:
Pyridazine, 1,6-dihydro-3-methyl-1-(4-nitrophenyl)-6-phenyl-
CAS Number:
89546-99-6
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
6-methyl-2-(4-nitrophenyl)-3-phenyl-3H-pyridazine
InChI:
InChI=1S/C17H15N3O2/c1-13-7-12-17(14-5-3-2-4-6-14)19(18-13)15-8-10-16(11-9-15)20(21)22/h2-12,17H,1H3
InChI Key:
FYMGVOKXNRVROO-UHFFFAOYSA-N
SMILES:
CC1=NN(C(C=C1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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