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126293-35-4 | 4H-Imidazol-4-one, 5-[(2-chlorophenyl)methylene]-3,5-dihydro-3-[[(4-nitrophenyl)methylene]amino]-2-phenyl-
CAS No: 126293-35-4 Catalog No: AG000SHS MDL No:
Product Description
Catalog Number:
AG000SHS
Chemical Name:
4H-Imidazol-4-one, 5-[(2-chlorophenyl)methylene]-3,5-dihydro-3-[[(4-nitrophenyl)methylene]amino]-2-phenyl-
CAS Number:
126293-35-4
Molecular Formula:
C23H15ClN4O3
Molecular Weight:
430.8432
IUPAC Name:
5-[(2-chlorophenyl)methylidene]-3-[(4-nitrophenyl)methylideneamino]-2-phenylimidazol-4-one
InChI:
InChI=1S/C23H15ClN4O3/c24-20-9-5-4-8-18(20)14-21-23(29)27(22(26-21)17-6-2-1-3-7-17)25-15-16-10-12-19(13-11-16)28(30)31/h1-15H
InChI Key:
GHFJFOAFHYYAAY-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccccc2Cl)N=C(N1N=Cc1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.083g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.848g/mol
Monoisotopic Mass:
430.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.3
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