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Home Other Building Blocks Methanone, diphenyl-, O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime

Methanone, diphenyl-, O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime

CAS No.:
168088-61-7
Catalog Number:
AG001XS4
Molecular Formula:
C32H27N5O8
Molecular Weight:
609.5855
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Product Description
Catalog Number:
AG001XS4
Chemical Name:
Methanone, diphenyl-, O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime
CAS Number:
168088-61-7
Molecular Formula:
C32H27N5O8
Molecular Weight:
609.5855
MDL Number:
MFCD09751192
IUPAC Name:
(benzhydrylideneamino) 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate
InChI:
InChI=1S/C32H27N5O8/c1-39-24-18-25(40-2)34-31(33-24)43-22-16-11-17-23(44-32-35-26(41-3)19-27(36-32)42-4)28(22)30(38)45-37-29(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3
InChI Key:
OVXMBIVWNJDDSM-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)ON=C(c1ccccc1)c1ccccc1)Oc1nc(OC)cc(n1)OC
EC Number:
605-503-4
UNII:
VBD478968P
Properties
Complexity:
849  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
609.186g/mol
Formal Charge:
0
Heavy Atom Count:
45  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
609.595g/mol
Monoisotopic Mass:
609.186g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  
Literature
Title Journal
Metabolism of a new herbicide, [(14)c]pyribenzoxim, in rice. Journal of agricultural and food chemistry 20110309
Soil metabolism of a new herbicide, [14C]Pyribenzoxim, under flooded conditions. Journal of agricultural and food chemistry 20070725
Identification of rat urinary and fecal metabolites of a new herbicide, pyribenzoxim. Journal of agricultural and food chemistry 20050824
Bioconcentration and depuration of pyribenzoxim in common carp (Cyprinus carpio). Bulletin of environmental contamination and toxicology 20020501
In vivo pharmacokinetics of pyribenzoxim in rats. Pest management science 20011201
Properties