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792940-10-4

792940-10-4 | 4-(5-(Trifluoromethyl)-2-pyridyl)piperazinecarbaldehyde

CAS No: 792940-10-4 Catalog No: AG01EXF8 MDL No:

Product Description

Catalog Number:
AG01EXF8
Chemical Name:
4-(5-(Trifluoromethyl)-2-pyridyl)piperazinecarbaldehyde
CAS Number:
792940-10-4
Molecular Formula:
C11H12F3N3O
Molecular Weight:
259.2277
IUPAC Name:
4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbaldehyde
InChI:
InChI=1S/C11H12F3N3O/c12-11(13,14)9-1-2-10(15-7-9)17-5-3-16(8-18)4-6-17/h1-2,7-8H,3-6H2
InChI Key:
RLWIXOQDBILIDJ-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)c1ccc(cn1)C(F)(F)F

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.093g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.232g/mol
Monoisotopic Mass:
259.093g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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