sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitros 1-Iodo-3-nitrobenzene

1-Iodo-3-nitrobenzene

CAS No.:
645-00-1
Catalog Number:
AG0032SH
Molecular Formula:
C6H4INO2
Molecular Weight:
249.0059
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$25
- +
100g
95%
In Stock USA
United States
$75
- +
Product Description
Catalog Number:
AG0032SH
Chemical Name:
1-Iodo-3-nitrobenzene
CAS Number:
645-00-1
Molecular Formula:
C6H4INO2
Molecular Weight:
249.0059
MDL Number:
MFCD00007218
IUPAC Name:
1-iodo-3-nitrobenzene
InChI:
InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChI Key:
CBYAZOKPJYBCHE-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)[N+](=O)[O-]
EC Number:
211-427-9
NSC Number:
3538
UN Number:
1325
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.929g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.007g/mol
Monoisotopic Mass:
248.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction. Journal of medicinal chemistry 20100311
Secondary interactions in 1-iodo-3-nitrobenzene and 1-iodo-3,5-dinitrobenzene. Acta crystallographica. Section C, Crystal structure communications 20030201
Microwave activation of electrochemical processes: enhanced electrodehalogenation in organic solvent media. Journal of the American Chemical Society 20020821
Properties