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130879-62-8 | 2(1H)-Pyrazinone, 3,5-dichloro-
CAS No: 130879-62-8 Catalog No: AG000V23 MDL No:MFCD16659508
Product Description
Catalog Number:
AG000V23
Chemical Name:
2(1H)-Pyrazinone, 3,5-dichloro-
CAS Number:
130879-62-8
Molecular Formula:
C4H2Cl2N2O
Molecular Weight:
164.9775
MDL Number:
MFCD16659508
IUPAC Name:
3,5-dichloro-1H-pyrazin-2-one
InChI:
InChI=1S/C4H2Cl2N2O/c5-2-1-7-4(9)3(6)8-2/h1H,(H,7,9)
InChI Key:
XDHJAHNEBHARQO-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c[nH]c1=O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.954g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.973g/mol
Monoisotopic Mass:
163.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and fungicidal activity of 3,5-dichloropyrazin-2(1H)-one derivatives. | Bioorganic & medicinal chemistry letters 20090801 |
| trans-Chlorido[6-chloro-4-(4-methoxy-benz-yl)-3-oxo-3,4-dihydro-pyrazin-2-yl]-bis-(triphenyl-phosphine)palladium(II). | Acta crystallographica. Section E, Structure reports online 20080101 |
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