Home Nitriles 2-Chloro-6-(trifluoromethyl)benzonitrile

2-Chloro-6-(trifluoromethyl)benzonitrile

CAS No.:
129604-28-0
Catalog Number:
AG0072NP
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
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Product Description
Catalog Number:
AG0072NP
Chemical Name:
2-Chloro-6-(trifluoromethyl)benzonitrile
CAS Number:
129604-28-0
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
MDL Number:
MFCD03412191
IUPAC Name:
2-chloro-6-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3ClF3N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChI Key:
DFPYRBFQHBGIKI-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cccc1C(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