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

4-Chloro-2-(trifluoromethyl)benzonitrile

CAS No.:
320-41-2
Catalog Number:
AG003L2E
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
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Product Description
Catalog Number:
AG003L2E
Chemical Name:
4-Chloro-2-(trifluoromethyl)benzonitrile
CAS Number:
320-41-2
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
MDL Number:
MFCD00060671
IUPAC Name:
4-chloro-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3ClF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3H
InChI Key:
GRNQHTXPUDZMGB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)Cl
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