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Home > Imidazoles > 83495-02-7
83495-02-7 | (5Z)-5-BENZYLIDENE-3-(2-METHOXY-4-NITRO-PHENYL)-2-PHENYL-IMIDAZOL-4-ON E
CAS No: 83495-02-7 Catalog No: AG008JAG MDL No:
Product Description
Catalog Number:
AG008JAG
Chemical Name:
(5Z)-5-BENZYLIDENE-3-(2-METHOXY-4-NITRO-PHENYL)-2-PHENYL-IMIDAZOL-4-ON E
CAS Number:
83495-02-7
Molecular Formula:
C23H17N3O4
Molecular Weight:
399.3988
IUPAC Name:
(5Z)-5-benzylidene-3-(2-methoxy-4-nitrophenyl)-2-phenylimidazol-4-one
InChI:
InChI=1S/C23H17N3O4/c1-30-21-15-18(26(28)29)12-13-20(21)25-22(17-10-6-3-7-11-17)24-19(23(25)27)14-16-8-4-2-5-9-16/h2-15H,1H3/b19-14-
InChI Key:
JHHZTLZRWUNLAR-RGEXLXHISA-N
SMILES:
COc1cc(ccc1N1C(=O)/C(=C/c2ccccc2)/N=C1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
399.122g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.406g/mol
Monoisotopic Mass:
399.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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