Home Nitriles 3-Iodo-2-methylphenylacetonitrile

3-Iodo-2-methylphenylacetonitrile

CAS No.:
1261569-73-6
Catalog Number:
AG000RV0
Molecular Formula:
C9H8IN
Molecular Weight:
257.0710
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$216
- +
Product Description
Catalog Number:
AG000RV0
Chemical Name:
3-Iodo-2-methylphenylacetonitrile
CAS Number:
1261569-73-6
Molecular Formula:
C9H8IN
Molecular Weight:
257.0710
IUPAC Name:
2-(3-iodo-2-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H8IN/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5H2,1H3
InChI Key:
ASXSGRWJIRQOIR-UHFFFAOYSA-N
SMILES:
Cc1c(CC#N)cccc1I
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.97g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.074g/mol
Monoisotopic Mass:
256.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties