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173200-35-6 | 2(1H)-Pyrazinone, 3,5-dichloro-6-methyl-1-(phenylmethyl)-
CAS No: 173200-35-6 Catalog No: AG001YOW MDL No:
Product Description
Catalog Number:
AG001YOW
Chemical Name:
2(1H)-Pyrazinone, 3,5-dichloro-6-methyl-1-(phenylmethyl)-
CAS Number:
173200-35-6
Molecular Formula:
C12H10Cl2N2O
Molecular Weight:
269.1266
IUPAC Name:
1-benzyl-3,5-dichloro-6-methylpyrazin-2-one
InChI:
InChI=1S/C12H10Cl2N2O/c1-8-10(13)15-11(14)12(17)16(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
ZDYCSKHTKTYOAA-UHFFFAOYSA-N
SMILES:
Cc1c(Cl)nc(c(=O)n1Cc1ccccc1)Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.125g/mol
Monoisotopic Mass:
268.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and fungicidal activity of 3,5-dichloropyrazin-2(1H)-one derivatives. | Bioorganic & medicinal chemistry letters 20090801 |
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