Home Other Building Blocks 2-Chloro-4-iodoaniline

2-Chloro-4-iodoaniline

CAS No.:
42016-93-3
Catalog Number:
AG003B73
Molecular Formula:
C6H5ClIN
Molecular Weight:
253.4681
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$44
- +
100g
98%
In Stock USA
United States
$132
- +
Product Description
Catalog Number:
AG003B73
Chemical Name:
2-Chloro-4-iodoaniline
CAS Number:
42016-93-3
Molecular Formula:
C6H5ClIN
Molecular Weight:
253.4681
MDL Number:
MFCD00025298
IUPAC Name:
2-chloro-4-iodoaniline
InChI:
InChI=1S/C6H5ClIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
InChI Key:
MYDAOWXYGPEPJT-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)Cl)N
NSC Number:
137040
Properties
Complexity:
99.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.916g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.467g/mol
Monoisotopic Mass:
252.916g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
2-Chloro-4-iodo-aniline. Acta crystallographica. Section E, Structure reports online 20081201
Properties