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Home > Aldehydes > 122648-76-4
122648-76-4 | Benzaldehyde, 4-[4-(2,2,2-trifluoroacetyl)-1-piperazinyl]-
CAS No: 122648-76-4 Catalog No: AG0017L0 MDL No:
Product Description
Catalog Number:
AG0017L0
Chemical Name:
Benzaldehyde, 4-[4-(2,2,2-trifluoroacetyl)-1-piperazinyl]-
CAS Number:
122648-76-4
Molecular Formula:
C13H13F3N2O2
Molecular Weight:
286.2497
IUPAC Name:
4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]benzaldehyde
InChI:
InChI=1S/C13H13F3N2O2/c14-13(15,16)12(20)18-7-5-17(6-8-18)11-3-1-10(9-19)2-4-11/h1-4,9H,5-8H2
InChI Key:
HWSBEWFVRYNALS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCN(CC1)C(=O)C(F)(F)F
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.254g/mol
Monoisotopic Mass:
286.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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