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16172-96-6 | Piperazine, 1-[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 16172-96-6 Catalog No: AG001VV2 MDL No:
Product Description
Catalog Number:
AG001VV2
Chemical Name:
Piperazine, 1-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
16172-96-6
Molecular Formula:
C12H12F6N2
Molecular Weight:
298.2275
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]piperazine
InChI:
InChI=1S/C12H12F6N2/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)20-3-1-19-2-4-20/h5-7,19H,1-4H2
InChI Key:
KBJABLNQZCSKGE-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)N1CCNCC1)(F)F
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.232g/mol
Monoisotopic Mass:
298.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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