Home Nitriles 2-Chloro-4-(trifluoromethyl)benzonitrile

2-Chloro-4-(trifluoromethyl)benzonitrile

CAS No.:
1813-33-8
Catalog Number:
AG0022TF
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$33
- +
5g
98%(HPLC)
In Stock USA
United States
$41
- +
25g
98%(HPLC)
In Stock USA
United States
$108
- +
100g
98%(HPLC)
In Stock USA
United States
$330
- +
Product Description
Catalog Number:
AG0022TF
Chemical Name:
2-Chloro-4-(trifluoromethyl)benzonitrile
CAS Number:
1813-33-8
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
MDL Number:
MFCD00084939
IUPAC Name:
2-chloro-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key:
GEHMLBFNZKJDQM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Cl)C(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:
204.991g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.564g/mol
Monoisotopic Mass:
204.991g/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