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146824-81-9 | 4(1H)-Pyridazinone, 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]-
CAS No: 146824-81-9 Catalog No: AG001EDF MDL No:
Product Description
Catalog Number:
AG001EDF
Chemical Name:
4(1H)-Pyridazinone, 3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
146824-81-9
Molecular Formula:
C16H18F3N3O2
Molecular Weight:
341.3282
IUPAC Name:
3-[2-(dimethylamino)ethoxy]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
InChI:
InChI=1S/C16H18F3N3O2/c1-11-9-14(23)15(24-8-7-21(2)3)20-22(11)13-6-4-5-12(10-13)16(17,18)19/h4-6,9-10H,7-8H2,1-3H3
InChI Key:
FOZFZVPBCBFFCX-UHFFFAOYSA-N
SMILES:
CN(CCOc1nn(c2cccc(c2)C(F)(F)F)c(cc1=O)C)C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.334g/mol
Monoisotopic Mass:
341.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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