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

4-Chloro-3-(trifluoromethoxy)benzonitrile

CAS No.:
886501-50-4
Catalog Number:
AG003L49
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$116
- +
5g
95%
1 week
United States
$270
- +
Product Description
Catalog Number:
AG003L49
Chemical Name:
4-Chloro-3-(trifluoromethoxy)benzonitrile
CAS Number:
886501-50-4
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD06660261
IUPAC Name:
4-chloro-3-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3ClF3NO/c9-6-2-1-5(4-13)3-7(6)14-8(10,11)12/h1-3H
InChI Key:
ODWSOYAYOGSZIG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)OC(F)(F)F)Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.563g/mol
Monoisotopic Mass:
220.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties