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1245646-05-2 | 3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-(tetrahydro-2H-pyran-3-yl)-
CAS No: 1245646-05-2 Catalog No: AG000MA9 MDL No:
Product Description
Catalog Number:
AG000MA9
Chemical Name:
3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-(tetrahydro-2H-pyran-3-yl)-
CAS Number:
1245646-05-2
Molecular Formula:
C10H13ClN2O3
Molecular Weight:
244.6748
IUPAC Name:
4-chloro-5-methoxy-2-(oxan-3-yl)pyridazin-3-one
InChI:
InChI=1S/C10H13ClN2O3/c1-15-8-5-12-13(10(14)9(8)11)7-3-2-4-16-6-7/h5,7H,2-4,6H2,1H3
InChI Key:
RSIGJIFJRZTISC-UHFFFAOYSA-N
SMILES:
COc1cnn(c(=O)c1Cl)C1CCCOC1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.675g/mol
Monoisotopic Mass:
244.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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