Home Nitros 4-Iodo-3-nitroaniline

4-Iodo-3-nitroaniline

CAS No.:
105752-04-3
Catalog Number:
AG003LKE
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003LKE
Chemical Name:
4-Iodo-3-nitroaniline
CAS Number:
105752-04-3
MDL Number:
MFCD08458843
IUPAC Name:
4-iodo-3-nitroaniline
InChI:
InChI=1S/C6H5IN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChI Key:
RIKZQOSCKSWUPH-UHFFFAOYSA-N
NSC Number:
141348
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:
1.7  
Literature
Title Journal
Hydrogen bonding in substituted nitroanilines: hydrogen-bonded sheets in 4-iodo-3-nitroaniline. Acta crystallographica. Section C, Crystal structure communications 20040501
Properties