Home Nitriles 5-Iodo-2-methylbenzonitrile

5-Iodo-2-methylbenzonitrile

CAS No.:
52107-68-3
Catalog Number:
AG00DKWQ
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%(GC)
In Stock USA
United States
$158
- +
5g
99%(GC)
In Stock USA
United States
$436
- +
10g
99%(GC)
In Stock USA
United States
$686
- +
25g
99%(GC)
In Stock USA
United States
$1353
- +
Product Description
Catalog Number:
AG00DKWQ
Chemical Name:
5-Iodo-2-methylbenzonitrile
CAS Number:
52107-68-3
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD00128256
IUPAC Name:
5-iodo-2-methylbenzonitrile
InChI:
InChI=1S/C8H6IN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
InChI Key:
QPGQEWLZKVSLPK-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)ccc1C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.954g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.047g/mol
Monoisotopic Mass:
242.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties