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14628-57-0 | 3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-methyl-
CAS No: 14628-57-0 Catalog No: AG001DU4 MDL No:MFCD00067854
Product Description
Catalog Number:
AG001DU4
Chemical Name:
3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-methyl-
CAS Number:
14628-57-0
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD00067854
IUPAC Name:
4-chloro-5-methoxy-2-methylpyridazin-3-one
InChI:
InChI=1S/C6H7ClN2O2/c1-9-6(10)5(7)4(11-2)3-8-9/h3H,1-2H3
InChI Key:
OGHGGBMXRUJBAF-UHFFFAOYSA-N
SMILES:
COc1cnn(c(=O)c1Cl)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Methyl carbonium ion migration during the reaction of 4-chloro-5-methoxyl-3(2H)-pyridazinone with trifluoroethylation agents. | Molecules (Basel, Switzerland) 20090213 |
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