CAS 5398-27-6 | 2,6-Diiodo-4-nitroaniline | CAS Number 5398-27-6

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5398-27-6 | 2,6-Diiodo-4-nitroaniline

CAS No: 5398-27-6 Catalog No: AG003G4V MDL No:MFCD00007683

Product Description

Catalog Number:

AG003G4V

Chemical Name:

2,6-Diiodo-4-nitroaniline

CAS Number:

5398-27-6

Molecular Formula:

C6H4I2N2O2

Molecular Weight:

389.9171

MDL Number:

MFCD00007683

IUPAC Name:

2,6-diiodo-4-nitroaniline

InChI:

InChI=1S/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

InChI Key:

YPVYMWQYENWFAT-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(I)c(c(c1)I)N

EC Number:

226-429-5

NSC Number:

4606

Properties

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.836g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.919g/mol

Monoisotopic Mass:

389.836g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Novel x-ray attenuation mechanism: role of interatomic distance.	Medical physics 20081001
Electrostatic modulation by ionic aggregates: charge transfer transitions in solutions of lithium perchlorate-diethyl ether.	Journal of the American Chemical Society 20020626