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1245649-65-3 | 3(2H)-Pyridazinone, 4,5-dichloro-2-(tetrahydro-2H-pyran-3-yl)-
CAS No: 1245649-65-3 Catalog No: AG000MD5 MDL No:
Product Description
Catalog Number:
AG000MD5
Chemical Name:
3(2H)-Pyridazinone, 4,5-dichloro-2-(tetrahydro-2H-pyran-3-yl)-
CAS Number:
1245649-65-3
Molecular Formula:
C9H10Cl2N2O2
Molecular Weight:
249.0939
IUPAC Name:
4,5-dichloro-2-(oxan-3-yl)pyridazin-3-one
InChI:
InChI=1S/C9H10Cl2N2O2/c10-7-4-12-13(9(14)8(7)11)6-2-1-3-15-5-6/h4,6H,1-3,5H2
InChI Key:
OEIQXPVDMWBQKW-UHFFFAOYSA-N
SMILES:
Clc1cnn(c(=O)c1Cl)C1CCCOC1
Properties
Complexity:
341
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:
1
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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