Home Nitriles 3-Chloro-2-fluoro-5-(trifluoromethyl)benzonitrile

3-Chloro-2-fluoro-5-(trifluoromethyl)benzonitrile

CAS No.:
129931-47-1
Catalog Number:
AG000TSB
Molecular Formula:
C8H2ClF4N
Molecular Weight:
223.5548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$199
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Product Description
Catalog Number:
AG000TSB
Chemical Name:
3-Chloro-2-fluoro-5-(trifluoromethyl)benzonitrile
CAS Number:
129931-47-1
Molecular Formula:
C8H2ClF4N
Molecular Weight:
223.5548
MDL Number:
MFCD09999623
IUPAC Name:
3-chloro-2-fluoro-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H2ClF4N/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-2H
InChI Key:
XRFKGJGJYKZNMH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1F)Cl)C(F)(F)F
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.981g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.555g/mol
Monoisotopic Mass:
222.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties