Home Nitriles 5-amino-2-[4-(trifluoromethyl)phenoxy]benzonitrile

5-amino-2-[4-(trifluoromethyl)phenoxy]benzonitrile

CAS No.:
1291554-41-0
Catalog Number:
AG019SC3
Molecular Formula:
C14H9F3N2O
Molecular Weight:
278.2293
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Product Description
Catalog Number:
AG019SC3
Chemical Name:
5-amino-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CAS Number:
1291554-41-0
Molecular Formula:
C14H9F3N2O
Molecular Weight:
278.2293
MDL Number:
MFCD20502031
IUPAC Name:
5-amino-2-[4-(trifluoromethyl)phenoxy]benzonitrile
InChI:
InChI=1S/C14H9F3N2O/c15-14(16,17)10-1-4-12(5-2-10)20-13-6-3-11(19)7-9(13)8-18/h1-7H,19H2
InChI Key:
LLHKBWFNHKLJEI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1Oc1ccc(cc1)C(F)(F)F
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.067g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.234g/mol
Monoisotopic Mass:
278.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties