Home Nitriles 2-{[2-(trifluoromethyl)phenyl]amino}benzonitrile

2-{[2-(trifluoromethyl)phenyl]amino}benzonitrile

CAS No.:
1041551-15-8
Catalog Number:
AG01A2VX
Molecular Formula:
C14H9F3N2
Molecular Weight:
262.2299
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Product Description
Catalog Number:
AG01A2VX
Chemical Name:
2-{[2-(trifluoromethyl)phenyl]amino}benzonitrile
CAS Number:
1041551-15-8
Molecular Formula:
C14H9F3N2
Molecular Weight:
262.2299
MDL Number:
MFCD12619061
IUPAC Name:
2-[2-(trifluoromethyl)anilino]benzonitrile
InChI:
InChI=1S/C14H9F3N2/c15-14(16,17)11-6-2-4-8-13(11)19-12-7-3-1-5-10(12)9-18/h1-8,19H
InChI Key:
PLTGOGVICYNUQA-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1Nc1ccccc1C(F)(F)F
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.072g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.235g/mol
Monoisotopic Mass:
262.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties