Home Nitriles 5-Iodo-2-(trifluoromethyl)benzonitrile

5-Iodo-2-(trifluoromethyl)benzonitrile

CAS No.:
1261622-39-2
Catalog Number:
AG000RW4
Molecular Formula:
C8H3F3IN
Molecular Weight:
297.0158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$230
- +
5g
95%
1 week
United States
$613
- +
Product Description
Catalog Number:
AG000RW4
Chemical Name:
5-Iodo-2-(trifluoromethyl)benzonitrile
CAS Number:
1261622-39-2
Molecular Formula:
C8H3F3IN
Molecular Weight:
297.0158
MDL Number:
MFCD18398162
IUPAC Name:
5-iodo-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3IN/c9-8(10,11)7-2-1-6(12)3-5(7)4-13/h1-3H
InChI Key:
NGOPCCNDQKYEKE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(I)ccc1C(F)(F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.926g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.019g/mol
Monoisotopic Mass:
296.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties