Home Nitriles 4-Iodo-3-methylbenzonitrile

4-Iodo-3-methylbenzonitrile

CAS No.:
42872-85-5
Catalog Number:
AG003LKD
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$143
- +
5g
98%(HPLC)
In Stock USA
United States
$364
- +
Product Description
Catalog Number:
AG003LKD
Chemical Name:
4-Iodo-3-methylbenzonitrile
CAS Number:
42872-85-5
Molecular Formula:
C8H6IN
Molecular Weight:
243.0444
MDL Number:
MFCD09025697
IUPAC Name:
4-iodo-3-methylbenzonitrile
InChI:
InChI=1S/C8H6IN/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,1H3
InChI Key:
HLTCSOXVOUXEJH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)I
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