Home Nitriles 2-[3-(Trifluoromethyl)phenyl]benzonitrile

2-[3-(Trifluoromethyl)phenyl]benzonitrile

CAS No.:
501427-87-8
Catalog Number:
AG00DAF4
Molecular Formula:
C14H8F3N
Molecular Weight:
247.2152
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00DAF4
Chemical Name:
2-[3-(Trifluoromethyl)phenyl]benzonitrile
CAS Number:
501427-87-8
Molecular Formula:
C14H8F3N
Molecular Weight:
247.2152
MDL Number:
MFCD05978897
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]benzonitrile
InChI:
InChI=1S/C14H8F3N/c15-14(16,17)12-6-3-5-10(8-12)13-7-2-1-4-11(13)9-18/h1-8H
InChI Key:
MTFLHNLORJOMIW-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cccc(c1)C(F)(F)F
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.061g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.22g/mol
Monoisotopic Mass:
247.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties