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14634-52-7 | Pyridazine, 3-chloro-6-methoxy-, 2-oxide
CAS No: 14634-52-7 Catalog No: AG001DWT MDL No:
Product Description
Catalog Number:
AG001DWT
Chemical Name:
Pyridazine, 3-chloro-6-methoxy-, 2-oxide
CAS Number:
14634-52-7
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
IUPAC Name:
6-chloro-3-methoxy-1-oxidopyridazin-1-ium
InChI:
InChI=1S/C5H5ClN2O2/c1-10-5-3-2-4(6)8(9)7-5/h2-3H,1H3
InChI Key:
KGSRLKOUXXYWDD-UHFFFAOYSA-N
SMILES:
COc1ccc([n+](n1)[O-])Cl
NSC Number:
291547
Properties
Complexity:
114
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:
0
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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