Home Nitriles 4-Chloro-3-(trifluoromethoxy)phenylacetonitrile

4-Chloro-3-(trifluoromethoxy)phenylacetonitrile

CAS No.:
886500-97-6
Catalog Number:
AG00IFAU
Molecular Formula:
C9H5ClF3NO
Molecular Weight:
235.5903
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$116
- +
Product Description
Catalog Number:
AG00IFAU
Chemical Name:
4-Chloro-3-(trifluoromethoxy)phenylacetonitrile
CAS Number:
886500-97-6
Molecular Formula:
C9H5ClF3NO
Molecular Weight:
235.5903
MDL Number:
MFCD06660250
IUPAC Name:
2-[4-chloro-3-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H5ClF3NO/c10-7-2-1-6(3-4-14)5-8(7)15-9(11,12)13/h1-2,5H,3H2
InChI Key:
KXNXYHHQHHZITA-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC(F)(F)F)Cl
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.001g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.59g/mol
Monoisotopic Mass:
235.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties