Home Nitriles 2-Chloro-6-iodobenzonitrile

2-Chloro-6-iodobenzonitrile

CAS No.:
89642-53-5
Catalog Number:
AG003W50
Molecular Formula:
C7H3ClIN
Molecular Weight:
263.4629
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$130
- +
5g
95%
In Stock USA
United States
$366
- +
10g
95%
In Stock USA
United States
$603
- +
Product Description
Catalog Number:
AG003W50
Chemical Name:
2-Chloro-6-iodobenzonitrile
CAS Number:
89642-53-5
Molecular Formula:
C7H3ClIN
Molecular Weight:
263.4629
MDL Number:
MFCD01763605
IUPAC Name:
2-chloro-6-iodobenzonitrile
InChI:
InChI=1S/C7H3ClIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChI Key:
MSYWVDNGKVMKIS-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cccc1I
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.9g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.462g/mol
Monoisotopic Mass:
262.9g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties