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Home Sulfos Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-

Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-

CAS No.:
210631-68-8
Catalog Number:
AG002KWS
Molecular Formula:
C16H17N3O5S
Molecular Weight:
363.3883
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Product Description
Catalog Number:
AG002KWS
Chemical Name:
Methanone, [3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)phenyl](5-hydroxy-1-methyl-1H-pyrazol-4-yl)-
CAS Number:
210631-68-8
Molecular Formula:
C16H17N3O5S
Molecular Weight:
363.3883
MDL Number:
MFCD09953760
IUPAC Name:
4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl]-2-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,17H,6-7H2,1-3H3
InChI Key:
BPPVUXSMLBXYGG-UHFFFAOYSA-N
SMILES:
Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1cnn(c1O)C
EC Number:
606-699-4
UNII:
W4934JAQ65
Properties
Complexity:
752  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.089g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
363.388g/mol
Monoisotopic Mass:
363.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Resistance to HPPD-inhibiting herbicides in a population of waterhemp (Amaranthus tuberculatus) from Illinois, United States. Pest management science 20110301
Design, synthesis and herbicidal activity of new iron chelating motifs for HPPD-inhibitors. Bioorganic & medicinal chemistry 20090615
On the mechanism of action and selectivity of the corn herbicide topramezone: a new inhibitor of 4-hydroxyphenylpyruvate dioxygenase. Pest management science 20070501
Properties