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PYRIDATE METABOLITE

CAS No.:
40020-01-7
Catalog Number:
AG00BZO1
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00BZO1
Chemical Name:
PYRIDATE METABOLITE
CAS Number:
40020-01-7
MDL Number:
MFCD00143498
IUPAC Name:
6-chloro-3-phenyl-1H-pyridazin-4-one
InChI:
InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)
InChI Key:
ZUSHSDOEVHPTCU-UHFFFAOYSA-N
EC Number:
254-752-1
UNII:
09L470QH6I
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.629g/mol
Monoisotopic Mass:
206.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Modification and re-validation of the ethyl acetate-based multi-residue method for pesticides in produce. Analytical and bioanalytical chemistry 20071101
Comparison of sorption and diffusion by pyridate and its polar metabolite in isolated cuticular wax of Chenopodium album and Hordeum vulgare. Journal of agricultural and food chemistry 20050907
Properties