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133220-91-4 | 4(1H)-Pyridazinone, 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]-
CAS No: 133220-91-4 Catalog No: AG0014F7 MDL No:
Product Description
Catalog Number:
AG0014F7
Chemical Name:
4(1H)-Pyridazinone, 3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
133220-91-4
Molecular Formula:
C12H10F3N3O
Molecular Weight:
269.2225
IUPAC Name:
3-amino-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one
InChI:
InChI=1S/C12H10F3N3O/c1-7-5-10(19)11(16)17-18(7)9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H2,16,17)
InChI Key:
MRMGTEKECRMLOG-UHFFFAOYSA-N
SMILES:
O=c1cc(C)n(nc1N)c1cccc(c1)C(F)(F)F
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.227g/mol
Monoisotopic Mass:
269.078g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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