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

2-Chloro-5-(trifluoromethyl)benzonitrile

CAS No.:
328-87-0
Catalog Number:
AG003GY5
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$47
- +
25g
98%(GC)
In Stock USA
United States
$72
- +
100g
98%(GC)
In Stock USA
United States
$179
- +
250g
98%(GC)
In Stock USA
United States
$339
- +
Product Description
Catalog Number:
AG003GY5
Chemical Name:
2-Chloro-5-(trifluoromethyl)benzonitrile
CAS Number:
328-87-0
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
MDL Number:
MFCD00019742
IUPAC Name:
2-chloro-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H
InChI Key:
LCISFYAQKHOWBP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Cl)C(F)(F)F
EC Number:
206-338-7
NSC Number:
88338
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:
3.5  
Properties