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113707-82-7 | 3(2H)-Pyridazinone, 4-chloro-6-methoxy-
CAS No: 113707-82-7 Catalog No: AG0009E5 MDL No:
Product Description
Catalog Number:
AG0009E5
Chemical Name:
3(2H)-Pyridazinone, 4-chloro-6-methoxy-
CAS Number:
113707-82-7
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
IUPAC Name:
5-chloro-3-methoxy-1H-pyridazin-6-one
InChI:
InChI=1S/C5H5ClN2O2/c1-10-4-2-3(6)5(9)8-7-4/h2H,1H3,(H,8,9)
InChI Key:
OEVGTJLBYHDFIW-UHFFFAOYSA-N
SMILES:
COc1n[nH]c(=O)c(c1)Cl
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
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