CAS 7781-49-9|N-[(4-iodophenyl)imino]-N'-[(4-nitrophenyl)amino]benzenecarboximidamide|p-IODONITROTETRAZOLIUM FORMAZAN|Iodonitrotetrazolium violet-formazan|INT Formazan|1-(4-Iodophenyl)-5-(4-nitrophe...

General Information

Structure

Molecular Formula

C₁₉H₁₄IN₅O₂

Molecular Mass

471.25123

Exact Mass

471.01922271

Charge

InChI

InChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,22H

InChIKey

FVFWUNAWQMROIF-UHFFFAOYSA-N

Canonic Smiles

Ic1ccc(cc1)/N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1

Isomeric Smiles

[O-][N+](=O)c1ccc(N/N=C(/N=N/c2ccc(I)cc2)\c2ccccc2)cc1

Calculated Properties

JChem

Acid pKa

12.045943

H Acceptors

H Donor

LogD (pH = 5.5)

6.4510293

LogD (pH = 7.4)

6.4918723

Log P

6.504388

Molar Refractivity

116.3498

Polarizability

41.816914

Polar Surface Area

94.93

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

N-[(4-iodophenyl)imino]-N'-[(4-nitrophenyl)amino]benzenecarboximidamide

Synonyms

p-IODONITROTETRAZOLIUM FORMAZANIodonitrotetrazolium violet-formazanINT Formazan1-(4-Iodophenyl)-5-(4-nitrophenyl)-3-phenylformazan1-(4-Iodophenyl)-5-(4-nitrophenyl)-3-phenylformazanIodonitrotetrazoliumviolet-formazanIodonitrotetrazolium violet formazanIodonitrotetrazolium formazan

IUPAC Traditional name

N-[(4-iodophenyl)imino]-N'-[(4-nitrophenyl)amino]benzenecarboximidamide

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem CID

PubChem SID