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830348-08-8

830348-08-8 | Benzamide, N-[2-(2-pyridinyl)ethyl]-2-(trifluoromethyl)-

CAS No: 830348-08-8 Catalog No: AG004X5I MDL No:

Product Description

Catalog Number:
AG004X5I
Chemical Name:
Benzamide, N-[2-(2-pyridinyl)ethyl]-2-(trifluoromethyl)-
CAS Number:
830348-08-8
Molecular Formula:
C15H13F3N2O
Molecular Weight:
294.2717
IUPAC Name:
N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)benzamide
InChI:
InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-2-1-6-12(13)14(21)20-10-8-11-5-3-4-9-19-11/h1-7,9H,8,10H2,(H,20,21)
InChI Key:
CHOXLERZYTYKDU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(F)(F)F)NCCc1ccccn1

Properties

Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.098g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
294.277g/mol
Monoisotopic Mass:
294.098g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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