Home Nitriles 3-{[3-(trifluoromethyl)phenyl]amino}propanenitrile

3-{[3-(trifluoromethyl)phenyl]amino}propanenitrile

CAS No.:
124438-60-4
Catalog Number:
AG019H2T
Molecular Formula:
C10H9F3N2
Molecular Weight:
214.1871
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Product Description
Catalog Number:
AG019H2T
Chemical Name:
3-{[3-(trifluoromethyl)phenyl]amino}propanenitrile
CAS Number:
124438-60-4
Molecular Formula:
C10H9F3N2
Molecular Weight:
214.1871
MDL Number:
MFCD02720704
IUPAC Name:
3-[3-(trifluoromethyl)anilino]propanenitrile
InChI:
InChI=1S/C10H9F3N2/c11-10(12,13)8-3-1-4-9(7-8)15-6-2-5-14/h1,3-4,7,15H,2,6H2
InChI Key:
QUPPRGUWJCNCLM-UHFFFAOYSA-N
SMILES:
N#CCCNc1cccc(c1)C(F)(F)F
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.191g/mol
Monoisotopic Mass:
214.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties