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Home > Fluorides > 823197-53-1
823197-53-1 | Piperazine, 1-[4-(2,2,2-trifluoroethoxy)phenyl]-
CAS No: 823197-53-1 Catalog No: AG0054NS MDL No:MFCD12423197
Product Description
Catalog Number:
AG0054NS
Chemical Name:
Piperazine, 1-[4-(2,2,2-trifluoroethoxy)phenyl]-
CAS Number:
823197-53-1
Molecular Formula:
C12H15F3N2O
Molecular Weight:
260.2555
MDL Number:
MFCD12423197
IUPAC Name:
1-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine
InChI:
InChI=1S/C12H15F3N2O/c13-12(14,15)9-18-11-3-1-10(2-4-11)17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChI Key:
HPSPMCQNULMOEN-UHFFFAOYSA-N
SMILES:
FC(COc1ccc(cc1)N1CCNCC1)(F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.26g/mol
Monoisotopic Mass:
260.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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