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127561-18-6

127561-18-6 | Piperazine, 1-[6-(trifluoromethyl)-2-pyridinyl]-

CAS No: 127561-18-6 Catalog No: AG000X6D MDL No:MFCD00114706

Product Description

Catalog Number:
AG000X6D
Chemical Name:
Piperazine, 1-[6-(trifluoromethyl)-2-pyridinyl]-
CAS Number:
127561-18-6
Molecular Formula:
C10H12F3N3
Molecular Weight:
231.2176
MDL Number:
MFCD00114706
IUPAC Name:
1-[6-(trifluoromethyl)pyridin-2-yl]piperazine
InChI:
InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-9(15-8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
InChI Key:
IAOMYUZAXMFANI-UHFFFAOYSA-N
SMILES:
FC(c1cccc(n1)N1CCNCC1)(F)F

Properties

Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.222g/mol
Monoisotopic Mass:
231.098g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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