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146824-80-8 | 4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-[3-(trifluoromethyl)phenyl]-
CAS No: 146824-80-8 Catalog No: AG001EDG MDL No:
Product Description
Catalog Number:
AG001EDG
Chemical Name:
4(1H)-Pyridazinone, 3-(2-aminoethoxy)-6-methyl-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
146824-80-8
Molecular Formula:
C14H14F3N3O2
Molecular Weight:
313.2751
IUPAC Name:
3-(2-aminoethoxy)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
InChI:
InChI=1S/C14H14F3N3O2/c1-9-7-12(21)13(22-6-5-18)19-20(9)11-4-2-3-10(8-11)14(15,16)17/h2-4,7-8H,5-6,18H2,1H3
InChI Key:
WTINKPRHAWGIIC-UHFFFAOYSA-N
SMILES:
NCCOc1nn(c2cccc(c2)C(F)(F)F)c(cc1=O)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.104g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.28g/mol
Monoisotopic Mass:
313.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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