Home Nitriles 4-Iodo-3-(trifluoromethyl)benzonitrile

4-Iodo-3-(trifluoromethyl)benzonitrile

CAS No.:
161320-00-9
Catalog Number:
AG001SCD
Molecular Formula:
C8H3F3IN
Molecular Weight:
297.0158
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$113
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Product Description
Catalog Number:
AG001SCD
Chemical Name:
4-Iodo-3-(trifluoromethyl)benzonitrile
CAS Number:
161320-00-9
Molecular Formula:
C8H3F3IN
Molecular Weight:
297.0158
MDL Number:
MFCD08458134
IUPAC Name:
4-iodo-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F3IN/c9-8(10,11)6-3-5(4-13)1-2-7(6)12/h1-3H
InChI Key:
CDGNBOWOOHEOEK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)I
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