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Home Nitros 2,6-Diiodo-4-nitrophenol

2,6-Diiodo-4-nitrophenol

CAS No.:
305-85-1
Catalog Number:
AG0030DN
Molecular Formula:
C6H3I2NO3
Molecular Weight:
390.9019
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$25
- +
5g
95%
In Stock USA
United States
$69
- +
10g
95%
In Stock USA
United States
$119
- +
25g
95%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0030DN
Chemical Name:
2,6-Diiodo-4-nitrophenol
CAS Number:
305-85-1
Molecular Formula:
C6H3I2NO3
Molecular Weight:
390.9019
MDL Number:
MFCD00007335
IUPAC Name:
2,6-diiodo-4-nitrophenol
InChI:
InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChI Key:
UVGTXNPVQOQFQW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(I)c(c(c1)I)O
EC Number:
206-170-4
UNII:
39S5ZJ6SYN
NSC Number:
94733
UN Number:
2811
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.82g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
390.903g/mol
Monoisotopic Mass:
390.82g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
2,6-Diiodo-4-nitrophenol, 2,6-diiodo-4-nitrophenyl acetate and 2,6-diiodo-4-nitroanisole: interplay of hydrogen bonds, iodo-nitro interactions and aromatic pi-pi-stacking interactions to give supramolecular structures in one, two and three dimensions. Acta crystallographica. Section C, Crystal structure communications 20020801
Properties