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Home > Fluorides > 124444-77-5
124444-77-5 | Methanone, 3-pyridinyl[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
CAS No: 124444-77-5 Catalog No: AG000M1F MDL No:
Product Description
Catalog Number:
AG000M1F
Chemical Name:
Methanone, 3-pyridinyl[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-
CAS Number:
124444-77-5
Molecular Formula:
C17H16F3N3O
Molecular Weight:
335.3236
IUPAC Name:
pyridin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
InChI:
InChI=1S/C17H16F3N3O/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13/h1-6,11-12H,7-10H2
InChI Key:
TXIRGEIUXFTVHL-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)N1CCN(CC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.125g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.33g/mol
Monoisotopic Mass:
335.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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