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114333-03-8,MFCD04971422
Catalog No.:AA000B0H
114333-03-8 | 6-Chloro-5-methoxypyridazin-3(2H)-one
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Technical Information
Catalog Number:
AA000B0H
Chemical Name:
6-Chloro-5-methoxypyridazin-3(2H)-one
CAS Number:
114333-03-8
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD04971422
IUPAC Name:
3-chloro-4-methoxy-1H-pyridazin-6-one
InChI:
InChI=1S/C5H5ClN2O2/c1-10-3-2-4(9)7-8-5(3)6/h2H,1H3,(H,7,9)
InChI Key:
FYTFUYWXLRXRAZ-UHFFFAOYSA-N
SMILES:
COc1cc(=O)[nH]nc1Cl
Properties
Computed Properties
 
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
114333-03-8 
3(2H)-Pyridazinone, 6-chloro-5-methoxy- 
DA-18170 
FT-0745393 
6-chloro-5-methoxy-2,3-dihydropyridazin-3-one 
6-Chloro-5-methoxy-2H-pyridazin-3-one/3-chlor-6-hydroxy-4-methoxypyridazin 
6-chloro-5-methoxy-3(2H)-Pyridazinone 
6-Chloro-5-methoxypyridazin-3(2H)-one 
ACMC-20mk3k 
CTK0C7460 
DTXSID30356229 
ZINC337141 
MFCD04971422 
AKOS030539214 
Literature
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