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Home > Nitro Compounds > 89547-00-2
89547-00-2 | Pyridazine, 3-ethyl-1,6-dihydro-1-(4-nitrophenyl)-6-phenyl-
CAS No: 89547-00-2 Catalog No: AG003ZNX MDL No:
Product Description
Catalog Number:
AG003ZNX
Chemical Name:
Pyridazine, 3-ethyl-1,6-dihydro-1-(4-nitrophenyl)-6-phenyl-
CAS Number:
89547-00-2
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
IUPAC Name:
6-ethyl-2-(4-nitrophenyl)-3-phenyl-3H-pyridazine
InChI:
InChI=1S/C18H17N3O2/c1-2-15-8-13-18(14-6-4-3-5-7-14)20(19-15)16-9-11-17(12-10-16)21(22)23/h3-13,18H,2H2,1H3
InChI Key:
ROOVKSSXATZKTL-UHFFFAOYSA-N
SMILES:
CCC1=NN(C(C=C1)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.353g/mol
Monoisotopic Mass:
307.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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