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151021-12-4

151021-12-4 | Piperazine, 1-[2-[4-(trifluoromethyl)phenyl]ethyl]-

CAS No: 151021-12-4 Catalog No: AG001N18 MDL No:

Product Description

Catalog Number:
AG001N18
Chemical Name:
Piperazine, 1-[2-[4-(trifluoromethyl)phenyl]ethyl]-
CAS Number:
151021-12-4
Molecular Formula:
C13H17F3N2
Molecular Weight:
258.2827
IUPAC Name:
1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine
InChI:
InChI=1S/C13H17F3N2/c14-13(15,16)12-3-1-11(2-4-12)5-8-18-9-6-17-7-10-18/h1-4,17H,5-10H2
InChI Key:
NMQBNWKRKXJPNA-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)CCN1CCNCC1)(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:
258.134g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.288g/mol
Monoisotopic Mass:
258.134g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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