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3495-26-9 | N-(3-Nitrobenzylidene)-4-iodoaniline
CAS No: 3495-26-9 Catalog No: AG00CZNS MDL No:
Product Description
Catalog Number:
AG00CZNS
Chemical Name:
N-(3-Nitrobenzylidene)-4-iodoaniline
CAS Number:
3495-26-9
IUPAC Name:
N-(4-iodophenyl)-1-(3-nitrophenyl)methanimine
InChI:
InChI=1S/C13H9IN2O2/c14-11-4-6-12(7-5-11)15-9-10-2-1-3-13(8-10)16(17)18/h1-9H
InChI Key:
LKCMREMLEOKTFK-UHFFFAOYSA-N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.971g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.131g/mol
Monoisotopic Mass:
351.971g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Nine isomeric nitrobenzylidene-iodoanilines: interplay of C-H...O hydrogen bonds, iodo...nitro interactions and aromatic pi...pi stacking interactions. | Acta crystallographica. Section B, Structural science 20021001 |
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