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121442-71-5 | 3(2H)-Pyridazinone, 5-amino-4-(methylsulfinyl)-2-[3-(trifluoromethyl)phenyl]-
CAS No: 121442-71-5 Catalog No: AG00150D MDL No:
Product Description
Catalog Number:
AG00150D
Chemical Name:
3(2H)-Pyridazinone, 5-amino-4-(methylsulfinyl)-2-[3-(trifluoromethyl)phenyl]-
CAS Number:
121442-71-5
Molecular Formula:
C12H10F3N3O2S
Molecular Weight:
317.2869
IUPAC Name:
5-amino-4-methylsulfinyl-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
InChI:
InChI=1S/C12H10F3N3O2S/c1-21(20)10-9(16)6-17-18(11(10)19)8-4-2-3-7(5-8)12(13,14)15/h2-6H,16H2,1H3
InChI Key:
NUTSXXIXRWFYJA-UHFFFAOYSA-N
SMILES:
CS(=O)c1c(N)cnn(c1=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.045g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.286g/mol
Monoisotopic Mass:
317.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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