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88820-23-9 | Benzamide, N-[1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]-
CAS No: 88820-23-9 Catalog No: AG004AQC MDL No:
Product Description
Catalog Number:
AG004AQC
Chemical Name:
Benzamide, N-[1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]-
CAS Number:
88820-23-9
Molecular Formula:
C22H16N4O3
Molecular Weight:
384.3874
IUPAC Name:
N-[1-(1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
InChI:
InChI=1S/C22H16N4O3/c27-22(16-6-2-1-3-7-16)25-20(14-15-10-12-17(13-11-15)26(28)29)21-23-18-8-4-5-9-19(18)24-21/h1-14H,(H,23,24)(H,25,27)
InChI Key:
RUMHRQWAARUWMQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC(=Cc1ccc(cc1)[N+](=O)[O-])c1nc2c([nH]1)cccc2
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.122g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.395g/mol
Monoisotopic Mass:
384.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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