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PYRAZOXYFEN

CAS No.:
71561-11-0
Catalog Number:
AG00FADG
Molecular Formula:
C20H16Cl2N2O3
Molecular Weight:
403.2586
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Product Description
Catalog Number:
AG00FADG
Chemical Name:
PYRAZOXYFEN
CAS Number:
71561-11-0
Molecular Formula:
C20H16Cl2N2O3
Molecular Weight:
403.2586
MDL Number:
MFCD00274563
IUPAC Name:
2-[4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl]oxy-1-phenylethanone
InChI:
InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChI Key:
FKERUJTUOYLBKB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(=O)c1c(C)nn(c1OCC(=O)c1ccccc1)C
EC Number:
615-306-5
UNII:
FS6C1PT8FV
Properties
Complexity:
541  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.054g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.259g/mol
Monoisotopic Mass:
402.054g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
4-(4-Chloro-5-methyl-3-trifluoro-meth-yl-1H-pyrazol-1-yl)-6-(prop-2-ynyl-oxy)pyrimidine. Acta crystallographica. Section E, Structure reports online 20100901
4-Bromo-5-[(5,5-dimethyl-4,5-dihydro-isoxazol-3-yl)sulfonyl-meth-yl]-3-methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole. Acta crystallographica. Section E, Structure reports online 20091101
4-Chloro-5-[(5,5-dimethyl-4,5-dihydro-isoxazol-3-yl)sulfonyl-meth-yl]-3-methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole. Acta crystallographica. Section E, Structure reports online 20091001
Properties