Home Nitriles 6-Methyl-4-(trifluoromethyl)nicotinonitrile

6-Methyl-4-(trifluoromethyl)nicotinonitrile

CAS No.:
13600-49-2
Catalog Number:
AG00723A
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$183
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Product Description
Catalog Number:
AG00723A
Chemical Name:
6-Methyl-4-(trifluoromethyl)nicotinonitrile
CAS Number:
13600-49-2
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD01570786
IUPAC Name:
6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C8H5F3N2/c1-5-2-7(8(9,10)11)6(3-12)4-13-5/h2,4H,1H3
InChI Key:
OXXIVQMBORORMR-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cc1C(F)(F)F)C
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties