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155164-65-1 | 3(2H)-Pyridazinone, 4,5-dichloro-2-(1-oxopentyl)-
CAS No: 155164-65-1 Catalog No: AG001NO8 MDL No:
Product Description
Catalog Number:
AG001NO8
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-(1-oxopentyl)-
CAS Number:
155164-65-1
Molecular Formula:
C9H10Cl2N2O2
Molecular Weight:
249.0939
IUPAC Name:
4,5-dichloro-2-pentanoylpyridazin-3-one
InChI:
InChI=1S/C9H10Cl2N2O2/c1-2-3-4-7(14)13-9(15)8(11)6(10)5-12-13/h5H,2-4H2,1H3
InChI Key:
IRTYFKFEHWLYEZ-UHFFFAOYSA-N
SMILES:
CCCCC(=O)n1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.091g/mol
Monoisotopic Mass:
248.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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