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1511-32-6 | Piperazine, 1-phenyl-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1511-32-6 Catalog No: AG001N3K MDL No:
Product Description
Catalog Number:
AG001N3K
Chemical Name:
Piperazine, 1-phenyl-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1511-32-6
Molecular Formula:
C12H15F3N2O2
Molecular Weight:
276.2549
IUPAC Name:
1-phenylpiperazine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C10H14N2.C2HF3O2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;3-2(4,5)1(6)7/h1-5,11H,6-9H2;(H,6,7)
InChI Key:
TUYNSVZDTJHBMV-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccccc1.OC(=O)C(F)(F)F
NSC Number:
91085
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.259g/mol
Monoisotopic Mass:
276.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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