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87394-50-1 | 1-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZINE
CAS No: 87394-50-1 Catalog No: AG004GPM MDL No:
Product Description
Catalog Number:
AG004GPM
Chemical Name:
1-[3-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZINE
CAS Number:
87394-50-1
Molecular Formula:
C10H12F3N3
Molecular Weight:
231.2176
IUPAC Name:
1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
InChI:
InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
InChI Key:
FRFKCMNQNNNZNO-UHFFFAOYSA-N
SMILES:
FC(c1cccnc1N1CCNCC1)(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:
1.5
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