Home Nitros 4-Iodo-2-nitroaniline

4-Iodo-2-nitroaniline

CAS No.:
20691-72-9
Catalog Number:
AG002IRY
Molecular Formula:
C6H5IN2O2
Molecular Weight:
264.0206
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
10g
98%
In Stock USA
United States
$69
- +
25g
98%
In Stock USA
United States
$132
- +
100g
98%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG002IRY
Chemical Name:
4-Iodo-2-nitroaniline
CAS Number:
20691-72-9
Molecular Formula:
C6H5IN2O2
Molecular Weight:
264.0206
MDL Number:
MFCD06808526
IUPAC Name:
4-iodo-2-nitroaniline
InChI:
InChI=1S/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
InChI Key:
QVCRSYXVWPPBFJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)[N+](=O)[O-])N
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.94g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.022g/mol
Monoisotopic Mass:
263.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Interplay of hydrogen bonds, iodo...nitro interactions and aromatic pi...pi stacking interactions in iodo-nitroanilines. Acta crystallographica. Section B, Structural science 20020801
Properties