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

3-Chloro-4-(trifluoromethoxy)benzonitrile

CAS No.:
129604-26-8
Catalog Number:
AG003J7S
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
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Product Description
Catalog Number:
AG003J7S
Chemical Name:
3-Chloro-4-(trifluoromethoxy)benzonitrile
CAS Number:
129604-26-8
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD01631557
IUPAC Name:
3-chloro-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3ClF3NO/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3H
InChI Key:
ITKCOGUNHYXLND-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Cl)OC(F)(F)F
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:
3.6  
Properties